3-methyl-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Chemical Structure Depiction of
3-methyl-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
3-methyl-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Compound characteristics
| Compound ID: | 8012-8441 |
| Compound Name: | 3-methyl-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C13 H13 N3 O5 |
| Smiles: | CN1CC2(CC(C1)(c1ccccc1C2=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6902 |
| logD: | 1.6864 |
| logSw: | -2.7383 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.58 |
| InChI Key: | BUKRPEDOSMOQEB-UHFFFAOYSA-N |