| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RX9LPW6HF5 |
| EPA CompTox | DTXSID20241392 |
Structure
| InChI Key | ITCLFWJTLBAMIG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18O1 |
| Molecular Weight | 178.14 |
| AlogP | 3.2 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94291-45-9 |
| NORMAN SUSDAT | |
| FDA SRS | RX9LPW6HF5 |
| PubChem | 3024270 |
| ChemSpider | 2290236.0 |
CONTENTS
