Compound Search & Analysis

Search and analyze any chemical compound with professional-grade intelligence

Quick Examples

R&D Brief

Can we make it, can we sell it, is it safe, and is it worth it? One answer, with the evidence behind it

Wording
Type a compound above to get its R&D Brief, or open it in the Compound Workspace for everything at once.

Compound Dossier

Identity, properties, safety and recorded patent chemistry for one compound

Identity

Name: Select a compound
CAS Number: -
Molecular Formula: -
Molecular Weight: -
IUPAC Name: -
InChIKey: -
SMILES: -

Chemical Structure

Structure will appear here

Computed Properties

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LogP
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TPSA (Ų)
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H-Bond Donors
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H-Bond Acceptors
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Rotatable Bonds
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Heavy Atoms

Hazard Snapshot (GHS)

Select a compound to view hazard classification

Summary

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Made From

Recorded patent reactions that produce this compound

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Used To Make

Recorded patent reactions that use this compound

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Synonyms & Identifiers

Select a compound to view synonyms

Synthesis Routes

Recorded synthesis routes from US patents: starting materials, how often each route is recorded, and its steps

For drawings, conditions, yields and costs of each route, open the compound in the Compound Workspace (How it's made).

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Total Routes
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All steps recorded
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Fewest steps

Search for a compound to view synthesis routes

Commercial Routes

Commercial-scale synthesis routes with validation and scoring

Planned · Phase 1 Not available yet

A route scorecard that ranks the recorded routes for plant use.

  • Number of steps and how often each step is recorded in patents
  • Starting materials available in India, with marketplace prices
  • Hazardous or controlled reagents, and patents still in force

Meanwhile: recorded routes are on Synthesis Routes, starting-material sourcing on Price Pulse.

Reaction Prediction

What do these reactants give? Likely products from an AI model and from reaction rules recorded in patents, each with its measured accuracy

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Map a reaction

Uses the reactants above. Shows which atoms go where, which bonds form and break, and how the patents run this exact step.

Retrosynthesis Analysis

Work backwards from a target to simpler, buyable starting materials, using reactions recorded in US patents

Target Molecule

Structure

Enter a SMILES to draw the structure

Molecular Properties

CAS Number
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Molecular Weight
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Formula
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LogP
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IUPAC Name
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Patent Clock

When US patents and exclusivity on an approved drug run out, and who already sells generics

Search for a drug to see its patent clock.
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Innovator products
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Generic approvals
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Patents in force
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Exclusivities in force
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Next expiry
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First generic approval

Innovator Products & Protection

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Generic Makers

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India Clearance

Where a compound stands with Indian regulators: pesticide registration, new-drug approval, precursor controls, export controls and import duty

Pesticides

CIB&RC, Insecticides Act 1968

Search for a compound.

New Drug Approvals

CDSCO, New Drugs and Clinical Trials Rules

Search for a compound.

Precursor Controls

NDPS (Regulation of Controlled Substances) Order 2013

Search for a compound.

Export Controls (SCOMET)

DGFT SCOMET list, Appendix 3 to Schedule 2 of ITC (HS)

Search for a compound.

Import Tariff

Customs Tariff of India, First Schedule (CBIC, as on 30.06.2025), all chapters

Search for a compound.

Import and Export Policy, Anti-dumping and Other Indian Rules

DGFT ITC(HS) import and export policy · CBIC anti-dumping notifications · Drugs and Cosmetics Rules (Schedules H, H1, X) · NDPS Act · MSIHC Rules · BIS Quality Control Orders

Search for a compound.

Residue Limits

EU approval status and residue limits, plus international Codex limits: what exported food may carry

Search for a pesticide to see its EU status and residue limits.

Safety & Toxicity

Hazard classification, fire data, exposure limits, toxicity and environmental fate, as recorded by the source agencies

Search for a chemical to see its safety profile.

Fire & Explosion

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Workplace Exposure Limits

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Toxicity

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Environment

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Price Pulse

Daily Indian market prices, who sells it, and where to source the starting materials

Search for a chemical to see its market price and where to buy it.
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7-day change
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30-day change
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Low – high (90 days)
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Suppliers listing it

Price Trend (₹/kg)

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Supply

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Source It

Starting materials from the most recorded patent routes to this compound

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Route Comparison

Recorded routes side by side: yields, conditions, solvents, atom economy, cost and flags

Search for a compound, or open its R&D Brief, to compare its recorded routes.

Export & Reports

Generate comprehensive reports and export data in multiple formats

Planned · Phase 1 Not available yet

Download the full R&D Brief for a compound as PDF or Excel, with every source listed.

  • Routes, patent clock, India clearance, safety and market price in one file

Meanwhile: the Retrosynthesis page has an Export Report button for route results.

User Dashboard

Track your usage, saved compounds, and analytics

Planned · Phase 3 Not available yet

Your account: saved compounds, watchlists and usage.

  • Alerts when a patent is about to expire, a price moves or a new approval appears
  • Usage against your plan limits

Needs accounts and sign-in, which come in Phase 3.

Subscription & Pricing

Upgrade your plan for advanced features and higher limits

Planned · Phase 3 Not available yet

Plans and payment. Plans and prices are still being decided.

  • Free, Professional, Team and Enterprise tiers are planned
  • Payment by Razorpay (India) and Stripe (overseas)

All features are open while the product is in preview.

Data sources

Where every answer comes from: the official lists, databases and dates behind XchangeIQ

Data sources in use

CoversSourceCoverage
Recorded reactionsUSPTO patent grants 1976–2016 and applications 2001–20161,252,488 recorded steps after removing mis-mapped and formulation records
Reaction conditions, yields, proceduresUSPTO grants, text-mined reaction records (CC0)Solvents, catalysts, temperatures, times, reported yields and step-by-step procedures, 1976–2016
Compound data and safetyPubChem (NIH)1,000,000 compounds held locally (names, CAS numbers, structures), GHS classes for 193,009, flash points, UN numbers; live lookups for descriptions, toxicity and exposure limits
US patents and exclusivityFDA Orange BookOctober 2026 edition
Patent use codesFDA Patent Use Codes and Definitions4,627 codes, retrieved 28 Oct 2026
EU pesticide status and residue limitsEU Pesticides Database API (European Commission)Live: approval status, ADI/ARfD, MRLs per food
International residue limitsCodex Alimentarius Pesticide Residues in Food database (FAO/WHO)Live: Codex MRLs per food, 240 pesticides
Indian residue limitsFSSAI Contaminants, Toxins and Residues Regulations, 2011 (reg. 2.3.1)213 pesticides, 1,069 limits; compendium Version IX, 3 Feb 2026
Indian pesticide statusCIB&RC registered, banned and restricted listsLists dated March and July 2026
Indian new-drug approvalsCDSCO approval lists2020 to 2026
Import tariffCustoms Tariff of India, First Schedule (CBIC)All 96 chapters as on 30.06.2025: 12,253 tariff items; effective duty with notification 45/2025-Customs (concessions) and 9/2025-Integrated Tax (Rate) (IGST)
Export controlsDGFT SCOMET list (Appendix 3, ITC (HS))2025 list as on 23.09.2025; 339 chemicals by CAS number, plus the CWC Schedule 2B04 structure family
Controlled precursorsNDPS Regulation of Controlled Substances Order 2013Schedules A, B and C
Import and export policyDGFT ITC(HS) 2022, Schedule 1 (Import) and Schedule 2 (Export)Chapters 25–40, about 3,500 lines each: Free, Restricted, Prohibited or state trading, with conditions; checked against DGFT’s own restricted and prohibited lists
Anti-dumping dutiesCBIC Customs (ADD) notifications 2021–202648 chemical and polymer duties in force on 31 Oct 2026, with the amount per country and producer from each notification’s duty table
Narcotic and psychotropic drugsNDPS Act 1985 Schedule (to Feb 2024); UN 1961 Convention Schedules I and II173 psychotropic substances (incl. tramadol, ketamine) and 130 narcotic drugs; salts matched by structure
Prescription drug schedulesDrugs and Cosmetics Rules 1945, Schedules H, H1, XAs amended to 31 Dec 2016: 512, 46 and 16 entries
Hazardous chemicalsMSIHC Rules 1989 (as amended to 2000), Schedules 1 and 3684 hazardous chemicals; storage thresholds for major-accident duties
BIS Quality Control OrdersDepartment of Chemicals and Petrochemicals notificationsWithdrawn, suspended and still-notified chemical QCOs, to 30 Oct 2026
PESO licencesPetroleum Rules 2002, Gas Cylinders and SMPV(U) Rules 2016, Explosives Rules 2008Petroleum classes from flash points (1,891 compounds) and fuel products; gases, explosives, ammonium nitrate, calcium carbide
Global treatiesStockholm (POPs), Rotterdam (PIC Annex III), Montreal Protocol and Kigali AmendmentPOPs as listed after COP-12 (2025) with India’s ratifications; 59 PIC chemicals; CFC/HCFC/HBFC groups, halons, HFCs
EU REACHECHA lists, as published in PubChem13,431 registered compounds; 249 SVHCs; 751 Annex XVII restrictions
EU harmonised classificationCLP Regulation (EC) 1272/2008, Annex VI Table 3 (EUR-Lex consolidated text)4,418 entries as on 1 Jul 2026; 1,136 carcinogens, mutagens or reproductive toxicants in category 1A/1B
US and Australian inventoriesUS EPA TSCA Inventory (July 2026); DEA lists; AICIS (via PubChem)About 70,000 TSCA substances with active/inactive status and rule flags; DEA controlled and listed chemicals
Indian market pricesRasayanXchange daily rates and catalogueDaily from 12 Oct 2026; 268 catalogued chemicals

Planned: BIS standards, pollution-board categories.