| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JAZ26EQ8IU |
| EPA CompTox | DTXSID60888881 |
| InChI Key | CQAJCSVXUQEABC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.18 |
| AlogP | 3.4 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 115724-27-1 |
| NORMAN SUSDAT | |
| FDA SRS | JAZ26EQ8IU |
| PubChem | 16206258 |
| ChemSpider | 17334428.0 |