Molecule ID: 90657759

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

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of protodeoxyviolaceinic 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 protodeoxyviolaceinic acid.

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

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

InChI: InChI=1S/C21H15N3O2/c25-21(26)20-14(15-10-22-17-7-3-1-5-12(15)17)9-19(24-20)16-11-23-18-8-4-2-6-13(16)18/h1-11,22-24H,(H,25,26)/p-1

Molecular Properties:
- Polar Surface Area: 87.5 Ų
- LogP: 4.8