3-(2-hydroxyethyl)-1,5-dinitro-9-(2-oxopropyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Chemical Structure Depiction of
3-(2-hydroxyethyl)-1,5-dinitro-9-(2-oxopropyl)-3-azabicyclo[3.3.1]non-7-en-6-one
3-(2-hydroxyethyl)-1,5-dinitro-9-(2-oxopropyl)-3-azabicyclo[3.3.1]non-7-en-6-one
Compound characteristics
| Compound ID: | 8012-3628 |
| Compound Name: | 3-(2-hydroxyethyl)-1,5-dinitro-9-(2-oxopropyl)-3-azabicyclo[3.3.1]non-7-en-6-one |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C13 H17 N3 O7 |
| Smiles: | CC(CC1C2(CN(CCO)CC1(C(C=C2)=O)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.5939 |
| logD: | -0.5939 |
| logSw: | -0.5028 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.723 |
| InChI Key: | CMDSEGQYYUNTST-UHFFFAOYSA-N |