Molecule ID: 119058151

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

Description: The molecule is a member of the class of phenazines that is (5aS)-5,5a-dihydrophenazine substituted at positions 1 and 6 by carboxy groups. It has a role as a bacterial metabolite. It is a member of phenazines and an amino dicarboxylic acid. It is a conjugate acid of a (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate.

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

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][=N][C][=C][Branch1][N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][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)/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 1.3