1-[(2-nitrophenyl)methyl]-3-oxo-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[(2-nitrophenyl)methyl]-3-oxo-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
1-[(2-nitrophenyl)methyl]-3-oxo-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 4286-0119 |
| Compound Name: | 1-[(2-nitrophenyl)methyl]-3-oxo-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1) |
| Molecular Weight: | 296.75 |
| Molecular Formula: | C14 H17 N2 O3 |
| Salt: | Cl- |
| Smiles: | C1C[N+]2(CCC1C(C2)=O)Cc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9149 |
| logD: | 1.9149 |
| logSw: | -2.1745 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.956 |
| InChI Key: | ZZVZNVWBYXKUPD-UHFFFAOYSA-N |