5-imino-3-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1,2,3-oxadiazol-3-ium--chloride (1/1)
Chemical Structure Depiction of
5-imino-3-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1,2,3-oxadiazol-3-ium--chloride (1/1)
5-imino-3-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1,2,3-oxadiazol-3-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8018-7794 |
| Compound Name: | 5-imino-3-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1,2,3-oxadiazol-3-ium--chloride (1/1) |
| Molecular Weight: | 270.67 |
| Molecular Formula: | C10 H11 N4 O3 |
| Salt: | Cl- |
| Smiles: | C(C[N+]1CC(=N)ON=1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7616 |
| logD: | 0.7528 |
| logSw: | -2.1359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.912 |
| InChI Key: | OZGDRRHVTAVAOI-UHFFFAOYSA-N |