1-[2-(azepan-1-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium
Chemical Structure Depiction of
1-[2-(azepan-1-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium
1-[2-(azepan-1-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium
Compound characteristics
| Compound ID: | 0173-0055 |
| Compound Name: | 1-[2-(azepan-1-yl)-2-oxoethyl]-3-[(hydroxyimino)methyl]pyridin-1-ium |
| Molecular Weight: | 297.78 |
| Molecular Formula: | C14 H20 N3 O2 |
| Salt: | Cl- |
| Smiles: | C1CCCN(CC1)C(C[n+]1cccc(/C=N/O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6765 |
| logD: | 1.6753 |
| logSw: | -1.8083 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.663 |
| InChI Key: | PGXVEWUICUVVSU-UHFFFAOYSA-O |