Molecule ID: 54691355

IUPAC Name: 2-carboxy-5-hydroxy-1H-indol-6-olate

Description: The molecule is an indolecarboxylate and a dihydroxyindole. It has a role as a human metabolite. It is a conjugate base of a 5,6-dihydroxyindole-2-carboxylic acid. It is a conjugate acid of a 5,6-dioxidoindole-2-carboxylate.

SMILES: O=C(O)c1cc2cc([O-])c(O)cc2[nH]1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O-1][=C][Branch1][C][O][C][=C][Ring1][Branch2][NH1][Ring1][O]

InChI: InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 96.4 Ų
- LogP: 1.8