Molecule ID: 119058159

IUPAC Name: (10aS)-10,10a-dihydrophenazine-1-carboxylate

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

SMILES: O=C([O-])C1=CC=CC2=Nc3ccccc3N[C@@H]12

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

InChI: InChI=1S/C13H10N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7,12,15H,(H,16,17)/p-1/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 64.5 Ų
- LogP: 2.4