Molecule ID: 54684684

IUPAC Name: 2-carboxy-4-oxo-1H-quinolin-8-olate

Description: The molecule is a quinolinemonocarboxylate that is the conjugate base of xanthurenic acid, obtained by deprotonation of the carboxy group. It has a role as an animal metabolite. It is a conjugate base of a xanthurenic acid.

SMILES: O=C(O)c1cc(O)c2cccc([O-])c2n1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][Branch1][C][O-1][C][Ring1][#Branch1][=N][Ring1][N]

InChI: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)/p-1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 1.6