3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium
Chemical Structure Depiction of
3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium
3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium
Compound characteristics
| Compound ID: | 8014-5582 |
| Compound Name: | 3-hydroxy-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium |
| Molecular Weight: | 371.23 |
| Molecular Formula: | C15 H19 N2 O4 |
| Salt: | Br- |
| Smiles: | C1C[N+]2(CCC1C(C2)O)CC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2387 |
| logD: | 1.2387 |
| logSw: | -2.2216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.872 |
| InChI Key: | FJBTYBSYEYVQHH-VXKCQOAXSA-N |