Molecule ID: 17596

IUPAC Name: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane

Description: The molecule is a tetrazocane that is 1,3,5,7-tetrazocane in which the hydrogen atom attached to each of the nitrogens is replaced by a nitro group. It has a role as an explosive. It is a tetrazocane and a N-nitro compound.

SMILES: O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])CN([N+](=O)[O-])C1

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

InChI: InChI=1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: 2.1