| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UHM852UB1I |
| EPA CompTox | DTXSID1066443 |
Structure
| InChI Key | JCLFHZLOKITRCE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.12 |
| AlogP | 2.96 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18979-53-8 |
| NORMAN SUSDAT | |
| FDA SRS | UHM852UB1I |
| PubChem | 29353 |
| ChemSpider | 27297.0 |
CONTENTS
