| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 77J4GA9ZXW |
| EPA CompTox | DTXSID10218497 |
Structure
| InChI Key | OAFHCOXSIJKFEV-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 | 6836-42-6 |
| NORMAN SUSDAT | |
| FDA SRS | 77J4GA9ZXW |
| PubChem | 81277 |
| ChemSpider | 73297.0 |
CONTENTS
