| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40865135 |
Structure
| InChI Key | DRKRLMZMGTWUSQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O1 |
| Molecular Weight | 142.14 |
| AlogP | 2.5 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24089-00-7 |
| NORMAN SUSDAT | |
| PubChem | 32207 |
| ChemSpider | 29867.0 |
CONTENTS
