Molecule ID: 90002174

IUPAC Name: 3,4-dimethyl-1H-indole-2-carboxylic acid

Description: The molecule is a member of the class of indolecarboxylic acids that is indole-2-carboxylic acid carrying two methyl substituents at positions 3 and 4. It is a conjugate acid of a 3,4-dimethylindole-2-carboxylate.

SMILES: Cc1cccc2[nH]c(C(=O)O)c(C)c12

SELFIES: [C][C][=C][C][=C][C][NH1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch2]

InChI: InChI=1S/C11H11NO2/c1-6-4-3-5-8-9(6)7(2)10(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 53.1 Ų
- LogP: 2.6