| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60957985 |
Structure
| InChI Key | TVPCUVQDVRZTAL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H30O3 |
| Molecular Weight | 270.22 |
| AlogP | 4.49 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 36765-89-6 |
| NORMAN SUSDAT | |
| PubChem | 161921 |
CONTENTS
