| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E9RGX49ABP |
| EPA CompTox | DTXSID20185722 |
Structure
| InChI Key | HLZRTHFXZSWIBW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H28O1 |
| Molecular Weight | 212.21 |
| AlogP | 4.89 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31857-89-3 |
| NORMAN SUSDAT | |
| FDA SRS | E9RGX49ABP |
| PubChem | 98678 |
| ChemSpider | 89119.0 |
CONTENTS
