| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80220542 |
Structure
| InChI Key | VRJLOADUMBZEBS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H30O2 |
| Molecular Weight | 254.22 |
| AlogP | 4.86 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70289-37-1 |
| NORMAN SUSDAT | |
| PubChem | 123565 |
| ChemSpider | 110159.0 |
CONTENTS
