| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40887175 |
Structure
| InChI Key | WNAJHTHKGZCCGS-ARJAWSKDSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68133-72-2 |
| NORMAN SUSDAT | |
| PubChem | 6437471 |
| ChemSpider | 4942027.0 |
CONTENTS
