| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JPT2OXN70I |
| EPA CompTox | DTXSID5065067 |
Structure
| InChI Key | XDIFYXKFWPNGRV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.12 |
| AlogP | 3.09 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10415-86-8 |
| NORMAN SUSDAT | |
| FDA SRS | JPT2OXN70I |
| PubChem | 82613 |
| ChemSpider | 74552.0 |
CONTENTS
