Molecule ID: 9889323

IUPAC Name: 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

Description: The molecule is a polycyclic cage that is hexaazaisowurtzitane in which all six amino hydrogens are replaced by nitro groups. It has a role as an explosive. It is a N-nitro compound and a polycyclic cage.

SMILES: O=[N+]([O-])N1C2C3N([N+](=O)[O-])C1C1N([N+](=O)[O-])C(C(N1[N+](=O)[O-])N3[N+](=O)[O-])N2[N+](=O)[O-]

SELFIES: [O][=N+1][Branch1][C][O-1][N][C][C][N][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring1][Branch2][C][N][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][Branch1][C][Branch1][=Branch2][N][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][N][Ring2][Ring1][C][N+1][=Branch1][C][=O][O-1][N][Ring2][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H6N12O12/c19-13(20)7-1-2-8(14(21)22)5(7)6-9(15(23)24)3(11(1)17(27)28)4(10(6)16(25)26)12(2)18(29)30/h1-6H

Molecular Properties:
- Polar Surface Area: 294.0 Ų
- LogP: 2.8