Molecule ID: 119405

IUPAC Name: 5,6-dihydroxy-1H-indole-2-carboxylic acid

Description: The molecule is a dihydroxyindole that is indole-2-carboxylic acid substituted by hydroxy groups at positions 5 and 6. It has a role as a mouse metabolite. It is a conjugate acid of a 5,6-dihydroxyindole-2-carboxylate. It is a tautomer of a dopachrome.

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][=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)

Molecular Properties:
- Polar Surface Area: 93.6 Ų
- LogP: 1.2