3-carbamoyl-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-carbamoyl-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
3-carbamoyl-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 2199-0159 |
| Compound Name: | 3-carbamoyl-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 366.17 |
| Molecular Formula: | C14 H12 N3 O4 |
| Salt: | Br- |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)[n+]1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1504 |
| logD: | 1.1504 |
| logSw: | -2.0415 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.611 |
| InChI Key: | DHSCGZLETYSXHU-UHFFFAOYSA-O |