Molecule ID: 119058161

IUPAC Name: (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an aromatic amino-acid anion and a monocarboxylic acid anion. It is a conjugate base of a (1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid.

SMILES: O=C([O-])[C@@H]1C=CCC2=C1Nc1ccccc1N2

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

InChI: InChI=1S/C13H12N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-6,8,14-15H,7H2,(H,16,17)/p-1/t8-/m1/s1

Molecular Properties:
- Polar Surface Area: 64.2 Ų
- LogP: 2.6