5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1)
5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4900-0070 |
| Compound Name: | 5-imino-3-(2-phenylethyl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide--hydrogen chloride (1/1) |
| Molecular Weight: | 225.67 |
| Molecular Formula: | C10 H11 N3 O |
| Salt: | HCl |
| Smiles: | [C-]1C(=N)ON=[N+]1CCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0292 |
| logD: | 1.0226 |
| logSw: | -1.5626 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.531 |
| InChI Key: | KLVFZOBIIFQANC-UHFFFAOYSA-N |