3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one
Chemical Structure Depiction of
3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one
3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one
Compound characteristics
| Compound ID: | 8014-6767 |
| Compound Name: | 3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one |
| Molecular Weight: | 319.31 |
| Molecular Formula: | C15 H17 N3 O5 |
| Smiles: | C1C(CC2(CC1(CN(Cc1ccccc1)C2)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3105 |
| logD: | 1.3066 |
| logSw: | -1.7904 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.188 |
| InChI Key: | DSDQBMZGTLAVMG-UHFFFAOYSA-N |