1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1)
1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0065 |
| Compound Name: | 1-[2-(4-carboxyanilino)-2-oxoethyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 292.72 |
| Molecular Formula: | C14 H13 N2 O3 |
| Salt: | Cl- |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)[n+]1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7986 |
| logD: | -0.5966 |
| logSw: | -2.2132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.589 |
| InChI Key: | DNTTUFMUAMKIHG-UHFFFAOYSA-O |