[7-(methoxycarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid
Chemical Structure Depiction of
[7-(methoxycarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid
[7-(methoxycarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid
Compound characteristics
| Compound ID: | 8009-8836 |
| Compound Name: | [7-(methoxycarbonyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]acetic acid |
| Molecular Weight: | 329.26 |
| Molecular Formula: | C12 H15 N3 O8 |
| Smiles: | COC(C1CC2(CC(CN(CC(O)=O)C2)(C=1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.2411 |
| logD: | -4.4771 |
| logSw: | -0.6046 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.668 |
| InChI Key: | QZOXTAZLLLZYAE-UHFFFAOYSA-N |