Molecule ID: 439403

IUPAC Name: 7,8-dihydroxy-4-oxo-1H-quinoline-2-carboxylic acid

Description: The molecule is a hydroxyquinoline that is kynurenic acid in which the hydrogens at positions 7 and 8 are replaced by hydroxy groups. It is a quinolinemonocarboxylic acid and a hydroxyquinoline. It derives from a kynurenic acid. It is a conjugate acid of a 7,8-dihydroxykynurenate.

SMILES: O=C(O)c1cc(O)c2ccc(O)c(O)c2n1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Ring1][Branch2][=N][Ring1][=N]

InChI: InChI=1S/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 0.6