| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID601003180 |
Structure
| InChI Key | KCGWOYRFTUEYHC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.12 |
| AlogP | 1.92 |
| 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 | 83171-86-2 |
| NORMAN SUSDAT | |
| PubChem | 3019146 |
CONTENTS
