3-hydroxy-1-[(2-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
Chemical Structure Depiction of
3-hydroxy-1-[(2-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
3-hydroxy-1-[(2-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 4286-0118 |
| Compound Name: | 3-hydroxy-1-[(2-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1) |
| Molecular Weight: | 298.77 |
| Molecular Formula: | C14 H19 N2 O3 |
| Salt: | Cl- |
| Smiles: | C1C[N+]2(CCC1C(C2)O)Cc1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8236 |
| logD: | 1.8236 |
| logSw: | -1.9494 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.324 |
| InChI Key: | HGUJHFLMLANSQL-WMEQCIOUSA-N |