1-[3-(benzylamino)-3-oxopropyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[3-(benzylamino)-3-oxopropyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-[3-(benzylamino)-3-oxopropyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0041 |
| Compound Name: | 1-[3-(benzylamino)-3-oxopropyl]-4-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 319.79 |
| Molecular Formula: | C16 H18 N3 O2 |
| Salt: | Cl- |
| Smiles: | C(C[n+]1ccc(/C=N/O)cc1)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7578 |
| logD: | 1.7574 |
| logSw: | -1.9452 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.496 |
| InChI Key: | QLAHGBLLSJEVKE-UHFFFAOYSA-O |