| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20992170 |
Structure
| InChI Key | WXFXWKOGMWSKOV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.16 |
| AlogP | 3.71 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71607-51-7 |
| NORMAN SUSDAT | |
| PubChem | 3018185 |
CONTENTS
