| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 97O72GYM1E |
| EPA CompTox | DTXSID90864355 |
Structure
| InChI Key | JTHVYOIHZNYRCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O1 |
| Molecular Weight | 168.15 |
| AlogP | 3.33 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13074-65-2 |
| NORMAN SUSDAT | |
| FDA SRS | 97O72GYM1E |
| PubChem | 114454 |
| ChemSpider | 102512.0 |
CONTENTS
