Molecule ID: 90658683

IUPAC Name: 3-[5-carboxy-4-(1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate

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

SMILES: O=C(O)c1[nH]c(-c2c[nH]c3ccc([O-])cc23)cc1-c1c[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O][C][NH1][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][O-1][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/C21H15N3O3/c25-11-5-6-18-13(7-11)16(10-23-18)19-8-14(20(24-19)21(26)27)15-9-22-17-4-2-1-3-12(15)17/h1-10,22-25H,(H,26,27)/p-1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 4.4