| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6W5A030WDT |
| EPA CompTox | DTXSID6072841 |
Structure
| InChI Key | YSJHMPXIMIOXGU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.12 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 76649-23-5 |
| NORMAN SUSDAT | |
| FDA SRS | 6W5A030WDT |
| PubChem | 173535 |
| ChemSpider | 151464.0 |
CONTENTS
