| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZPU3NY92Q7 |
| EPA CompTox | DTXSID80178776 |
Structure
| InChI Key | KCKGLVOPXDIEIJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13 |
| AlogP | 3.07 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2403-59-0 |
| NORMAN SUSDAT | |
| FDA SRS | ZPU3NY92Q7 |
| PubChem | 75469 |
| ChemSpider | 67998.0 |
CONTENTS
