Molecule ID: 86289518

IUPAC Name: 9-(3-methylbut-2-enyl)-5,10-dihydrophenazine-1-carboxylic acid

Description: The molecule is a member of the class of phenazines that is 5,10-dihydrophenazine substituted at positions 1 and 9 by carboxy and dimethylallyl groups respectively. It has a role as a bacterial metabolite. It is an aromatic carboxylic acid, a member of phenazines and an olefinic compound. It is a conjugate acid of a 5,10-dihydro-9-dimethylallylphenazine 1-carboxylate.

SMILES: CC(C)=CCc1cccc2c1Nc1c(cccc1C(=O)O)N2

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

InChI: InChI=1S/C18H18N2O2/c1-11(2)9-10-12-5-3-7-14-16(12)20-17-13(18(21)22)6-4-8-15(17)19-14/h3-9,19-20H,10H2,1-2H3,(H,21,22)

Molecular Properties:
- Polar Surface Area: 61.4 Ų
- LogP: 4.4