Molecule ID: 161255

IUPAC Name: (2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid

Description: The molecule is indoline substituted with hydroxy groups at C-5 and -6 and a carboxy group at C-2, and with S stereochemistry at C-2. It has a role as a metabolite. It is a member of indoles and a hydroxy monocarboxylic acid.

SMILES: O=C(O)[C@@H]1Cc2cc(O)c(O)cc2N1

SELFIES: [O][=C][Branch1][C][O][C@@H1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][N][Ring1][O]

InChI: InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 0.9