1-[2-(4-nitroanilino)-2-oxoethyl]-4-phenylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-nitroanilino)-2-oxoethyl]-4-phenylpyridin-1-ium--bromide (1/1)
1-[2-(4-nitroanilino)-2-oxoethyl]-4-phenylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1057-0089 |
| Compound Name: | 1-[2-(4-nitroanilino)-2-oxoethyl]-4-phenylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 414.26 |
| Molecular Formula: | C19 H16 N3 O3 |
| Salt: | Br- |
| Smiles: | C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)[n+]1ccc(cc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0159 |
| logD: | 4.0104 |
| logSw: | -4.3582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.29 |
| InChI Key: | CGNSKSBVHWQHKK-UHFFFAOYSA-O |