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 |