| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID501006250 |
Structure
| InChI Key | BMIAHVTUYOZZGB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 |
| AlogP | 2.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85665-58-3 |
| NORMAN SUSDAT | |
| PubChem | 11970988 |
CONTENTS
