1-[2-(4-carboxyanilino)-2-oxoethyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(4-carboxyanilino)-2-oxoethyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-[2-(4-carboxyanilino)-2-oxoethyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0067 |
| Compound Name: | 1-[2-(4-carboxyanilino)-2-oxoethyl]-4-[(hydroxyimino)methyl]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+]1ccc(/C=N/O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9225 |
| logD: | -0.4727 |
| logSw: | -2.6074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.604 |
| InChI Key: | WMRDIYZICQCFQC-UHFFFAOYSA-O |