| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID701004886 |
| InChI Key | MSBRSFQZKZOPDR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.16 |
| AlogP | 2.58 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84604-48-8 |
| NORMAN SUSDAT | |
| PubChem | 21149606 |