Full compound record by name / cid / smiles

Fragmentos de código

curl "https://api.oanor.com/chemistry-api/v1/compound" \
  -H "x-oanor-key: oanor_test_..."

await fetch("https://api.oanor.com/chemistry-api/v1/compound", {
  headers: { "x-oanor-key": "oanor_test_..." }
});

$ch = curl_init("https://api.oanor.com/chemistry-api/v1/compound");
curl_setopt($ch, CURLOPT_HTTPHEADER, ["x-oanor-key: oanor_test_..."]);
curl_setopt($ch, CURLOPT_RETURNTRANSFER, true);
$out = curl_exec($ch);

import requests
requests.get(
    "https://api.oanor.com/chemistry-api/v1/compound",
    headers={"x-oanor-key": "oanor_test_..."}
)

Respuesta de ejemplo

Una respuesta real de este endpoint, capturada en la última comprobación de estado.

{
    "data": {
        "cid": 2244,
        "input": {
            "name": "aspirin"
        },
        "title": "Aspirin",
        "properties": {
            "tpsa": 63.6,
            "inchi": "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)",
            "xlogp": 1.2,
            "charge": 0,
            "smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
            "inchikey": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
            "exact_mass": 180.04225873,
            "iupac_name": "2-acetyloxybenzoic acid",
            "heavy_atom_count": 13,
            "molecular_weight": 180.16,
            "molecular_formula": "C9H8O4",
            "monoisotopic_mass": 180.04225873,
            "h_bond_donor_count": 1,
            "connectivity_smiles": "CC(=O)OC1=CC=CC=C1C(=O)O",
            "rotatable_bond_count": 3,
            "h_bond_acceptor_count": 4
        },
        "description": "Aspirin can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.",
        "pubchem_url": "https://pubchem.ncbi.nlm.nih.gov/compound/2244"
    },
    "meta": {
        "timestamp": "2026-05-31T07:34:15.576Z",
        "request_id": "1c3f85d2-1cb3-44c3-b1da-a2d82bd668a9"
    },
    "status": "ok",
    "message": "Compound retrieved",
    "success": true
}