Molecule ID: 119058150

IUPAC Name: (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3. It is a conjugate base of a (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid.

SMILES: O=C([O-])C1=CC=CC2=Nc3c(cccc3C(=O)[O-])N[C@@H]12

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

InChI: InChI=1S/C14H10N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6,11,16H,(H,17,18)(H,19,20)/p-2/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 2.6