Molecule ID: 136630936

IUPAC Name: 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of deoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a deoxyviolaceinic acid.

SMILES: O=C(O)c1[nH]c(-c2c[nH]c3ccccc23)cc1-c1c([O-])[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O][C][NH1][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=Ring1][=C][C][=C][Branch1][C][O-1][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]

InChI: InChI=1S/C21H15N3O3/c25-20-18(12-6-2-4-8-16(12)24-20)13-9-17(23-19(13)21(26)27)14-10-22-15-7-3-1-5-11(14)15/h1-10,22-25H,(H,26,27)/p-1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 4.7