HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3-Hydroxy-1-adamantyl) 2-methylchloranuidylacetate
Identifiers & Physical Properties
| Molecular formula | C13H20ClO3- |
|---|---|
| Average molar mass | 259.75 g/mol |
| SMILES | C[Cl-]CC(=O)OC12CC3CC(C1)CC(C3)(C2)O |
| InChIKey | RVZOABJTBUNJHJ-UHFFFAOYSA-N |
| PubChem CID | 163613402 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | -1 |
| Complexity | 328 |