Molecule ID: 96812

IUPAC Name: 6-(2,4-dinitroanilino)hexanoic acid

Description: The molecule is a C-nitro compound comprising hexanoic acid with a (2,4-dinitrophenyl)amino substituent at position C-6. It derives from a 6-aminohexanoic acid.

SMILES: O=C(O)CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C12H15N3O6/c16-12(17)4-2-1-3-7-13-10-6-5-9(14(18)19)8-11(10)15(20)21/h5-6,8,13H,1-4,7H2,(H,16,17)

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 2.8