1-(2-nitrophenyl)-1,4-diazepane--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(2-nitrophenyl)-1,4-diazepane--hydrogen chloride (1/1)
1-(2-nitrophenyl)-1,4-diazepane--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2023-0126 |
| Compound Name: | 1-(2-nitrophenyl)-1,4-diazepane--hydrogen chloride (1/1) |
| Molecular Weight: | 257.72 |
| Molecular Formula: | C11 H15 N3 O2 |
| Salt: | HCl |
| Smiles: | C1CNCCN(C1)c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2762 |
| logD: | 0.1297 |
| logSw: | -1.9138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.762 |
| InChI Key: | KKGIQPLUVKLSNV-UHFFFAOYSA-N |