2-(6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)ethan-1-ol
Chemical Structure Depiction of
2-(6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)ethan-1-ol
2-(6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)ethan-1-ol
Compound characteristics
Compound ID: | 8009-6069 |
Compound Name: | 2-(6-methoxy-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)ethan-1-ol |
Molecular Weight: | 287.27 |
Molecular Formula: | C11 H17 N3 O6 |
Smiles: | COC1=CCC2(CC1(CN(CCO)C2)[N+]([O-])=O)[N+]([O-])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 0.3963 |
logD: | 0.396 |
logSw: | -0.7482 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.444 |
InChI Key: | VRXYKYLSCIYEGS-UHFFFAOYSA-N |