GET /compound/smiles/{smiles}/property/{properties}/{output}

nih.gov:pubchem-property-api

Summary: Get compound properties by SMILES
Operation ID: getCompoundPropertiesBySMILES
Auth: unknown
Description

Retrieve chemical properties for a compound specified by its SMILES notation

Parameters (3)

output (string, path, required, default: JSON)

Output format

Constraints: {'enum': ['JSON', 'XML']}

properties (string, path, required)

Comma-separated list of properties to retrieve

smiles (string, path, required)

SMILES string (URL-encoded if necessary)

Examples (3)

TitleTypeURLAction
Get properties by SMILES openapi-spec https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/CC(=O)Oc1ccccc1C(=O)O/property/MolecularFormula/JSON
Get compound properties by SMILES openapi-spec https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/C1CCCCC1/property/MolecularFormula,MolecularWeight/{output}
Get compound properties by SMILES probe-gate https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/C1CCCCC1/property/MolecularFormula,MolecularWeight/JSON

Probe History

Latency

Status Codes

TimeStatusLatencySize
2026-03-23 09:39:33.476327 200 772ms
2026-03-23 09:22:04.178633 200 649ms

Response Changes

WhenOldNew
2026-03-23 09:39:33.476327 4ceab1bcfbfe 11581258d350