getCompoundProperties

Free

Get computed physicochemical properties and structure identifiers (SMILES, InChI, InChIKey) for up to 20 PubChem CIDs. Covers Lipinski/drug-likeness inputs: molecular weight, XLogP, TPSA, H-bond donors/acceptors, rotatable bonds.

Try it

Open in playground

kirha tools run pubchem_getCompoundProperties \
  --input '{
    "cids": [
      1
    ]
  }'

Uses the key saved by kirha auth login.

cidsinteger[], required, 1 to 20 items

Works in any harness

Get your API key, then install with one command