| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 05401NS64Z |
| EPA CompTox | DTXSID0047587 |
Structure
| InChI Key | XJHRZBIBSSVCEL-ARJAWSKDSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O1 |
| Molecular Weight | 142.14 |
| AlogP | 2.51 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 35854-86-5 |
| NORMAN SUSDAT | |
| FDA SRS | 05401NS64Z |
| PubChem | 5362792 |
| ChemSpider | 4515258.0 |
CONTENTS
