| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8XE86E3G82 |
| EPA CompTox | DTXSID6073156 |
Structure
| InChI Key | WWFMRRQOYPKLIM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H42O3 |
| Molecular Weight | 342.31 |
| AlogP | 6.44 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 19.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 24.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 111-09-1 |
| NORMAN SUSDAT | |
| FDA SRS | 8XE86E3G82 |
| PubChem | 66975 |
| ChemSpider | 60333.0 |
CONTENTS
