Molecule ID: 46173181

IUPAC Name: (2S)-5,6-dioxo-2,3-dihydro-1H-indole-2-carboxylate

Description: The molecule is conjugate base of L-dopachrome. It has a role as a human metabolite. It is a conjugate base of a L-dopachrome.

SMILES: O=C1C=C2C[C@@H](C(=O)[O-])NC2=CC1=O

SELFIES: [O][=C][C][=C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][Ring1][Branch2][=C][C][Ring1][N][=O]

InChI: InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/p-1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: -0.1