N-(cyanomethyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(cyanomethyl)-3,5-dinitrobenzamide
N-(cyanomethyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | Y031-8051 |
| Compound Name: | N-(cyanomethyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 250.17 |
| Molecular Formula: | C9 H6 N4 O5 |
| Smiles: | C(C#N)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9252 |
| logD: | 0.9252 |
| logSw: | -1.9714 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.02 |
| InChI Key: | ZWBBHAFLOVOXQR-UHFFFAOYSA-N |