3-hexadecyl-1-[2-(hydroxyimino)propyl]-1H-imidazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
3-hexadecyl-1-[2-(hydroxyimino)propyl]-1H-imidazol-3-ium--bromide (1/1)
3-hexadecyl-1-[2-(hydroxyimino)propyl]-1H-imidazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1273-0041 |
| Compound Name: | 3-hexadecyl-1-[2-(hydroxyimino)propyl]-1H-imidazol-3-ium--bromide (1/1) |
| Molecular Weight: | 444.5 |
| Molecular Formula: | C22 H42 N3 O |
| Salt: | Br- |
| Smiles: | CCCCCCCCCCCCCCCC[n+]1ccn(CC(/C)=N/O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4919 |
| logD: | 7.4918 |
| logSw: | -6.0564 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.601 |
| InChI Key: | KGJWZLXQJUCYGY-GHVJWSGMSA-O |