3-(4-nitro-1H-benzotriazol-1-yl)adamantan-1-ol
Chemical Structure Depiction of
3-(4-nitro-1H-benzotriazol-1-yl)adamantan-1-ol
3-(4-nitro-1H-benzotriazol-1-yl)adamantan-1-ol
Compound characteristics
| Compound ID: | 8013-3580 |
| Compound Name: | 3-(4-nitro-1H-benzotriazol-1-yl)adamantan-1-ol |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C16 H18 N4 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)O)n1c2cccc(c2nn1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2462 |
| logD: | 2.2462 |
| logSw: | -2.2005 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.468 |
| InChI Key: | YJHYNMFMFAOKRK-UHFFFAOYSA-N |