Molecule ID: 7434

IUPAC Name: 1,3,5-trinitrobenzene

Description: The molecule is a trinitrobenzene in which each of the nitro groups is meta- to the other two. It has a role as an explosive.

SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

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

InChI: InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: 1.2