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Takes any common identifier for a chemical and returns the canonical PubChem compound: the CID, molecular formula, molecular weight, canonical and isomeric SMILES, InChI and InChI…
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Takes any common identifier for a chemical and returns the canonical PubChem compound: the CID, molecular formula, molecular weight, canonical and isomeric SMILES, InChI and InChI key, the IUPAC name, and the computed properties that decide most downstream work — logP, exact mass, polar surface area, hydrogen bond donors and acceptors, rotatable bonds and formal charge.Overview
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