3-carbamoyl-1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
3-carbamoyl-1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1)
3-carbamoyl-1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0018 |
| Compound Name: | 3-carbamoyl-1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 335.74 |
| Molecular Formula: | C15 H14 N3 O4 |
| Salt: | Cl- |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)[n+]1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9176 |
| logD: | -1.4776 |
| logSw: | -1.7083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.54 |
| InChI Key: | POIURIVRQDNMSI-UHFFFAOYSA-O |