1-{2-[(1,2-benzoxazol-3-yl)amino]-2-oxoethyl}pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-{2-[(1,2-benzoxazol-3-yl)amino]-2-oxoethyl}pyridin-1-ium--chloride (1/1)
1-{2-[(1,2-benzoxazol-3-yl)amino]-2-oxoethyl}pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | D050-0064 |
| Compound Name: | 1-{2-[(1,2-benzoxazol-3-yl)amino]-2-oxoethyl}pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 289.72 |
| Molecular Formula: | C14 H12 N3 O2 |
| Salt: | Cl- |
| Smiles: | C(C(Nc1c2ccccc2on1)=O)[n+]1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0785 |
| logD: | 2.0738 |
| logSw: | -2.8256 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.249 |
| InChI Key: | RPYGOUZLXXGRSB-UHFFFAOYSA-O |