1-{2-[(adamantan-1-yl)amino]-2-oxoethyl}-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-{2-[(adamantan-1-yl)amino]-2-oxoethyl}-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
1-{2-[(adamantan-1-yl)amino]-2-oxoethyl}-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0059 |
| Compound Name: | 1-{2-[(adamantan-1-yl)amino]-2-oxoethyl}-3-[(hydroxyimino)methyl]pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 349.86 |
| Molecular Formula: | C18 H24 N3 O2 |
| Salt: | Cl- |
| Smiles: | C1C2CC3CC1CC(C2)(C3)NC(C[n+]1cccc(/C=N/O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0636 |
| logD: | 3.0624 |
| logSw: | -2.9889 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.106 |
| InChI Key: | JBXOTRYLXRTYHJ-VXLYETTFSA-O |