Molecule ID: 5459891

IUPAC Name: 7,8-dihydroxy-4-oxo-7,8-dihydro-1H-quinoline-2-carboxylate

Description: The molecule is conjugate base of 7,8-dihydro-7,8-dihydroxykynurenic acid; major species at pH 7.3. It is a quinolinemonocarboxylate and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 7,8-dihydro-7,8-dihydroxykynurenic acid.

SMILES: O=C(O)c1cc([O-])c2c(n1)C(O)C(O)C=C2

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][C][O-1][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C10H9NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,6,9,12,14H,(H,11,13)(H,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: -0.6