Molecule ID: 1493

IUPAC Name: 2,4-dinitrophenol

Description: The molecule is a dinitrophenol having the nitro groups at the 2- and 4-positions. It has a role as an oxidative phosphorylation inhibitor, a bacterial xenobiotic metabolite, an antiseptic drug and an allergen. It is a conjugate acid of a 2,4-dinitrophenol(1-).

SMILES: O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1

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

InChI: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 1.7