| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 93E895X03C |
| EPA CompTox | DTXSID1047104 |
Structure
| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O1 |
| Molecular Weight | 138.1 |
| AlogP | 2.49 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 557-48-2 |
| NORMAN SUSDAT | |
| FDA SRS | 93E895X03C |
| PubChem | 643731 |
| ChemSpider | 558840.0 |
CONTENTS
