3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Chemical Structure Depiction of
3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Compound characteristics
Compound ID: | 8014-9041 |
Compound Name: | 3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid |
Molecular Weight: | 345.31 |
Molecular Formula: | C13 H19 N3 O8 |
Smiles: | C(CN1CC2(CC=C(C(C2)(C1)[N+]([O-])=O)OCCO)[N+]([O-])=O)C(O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | -0.974 |
logD: | -3.8329 |
logSw: | -0.4777 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 121.701 |
InChI Key: | JTAPXUXKTORBBV-UHFFFAOYSA-N |