| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9069213 |
Structure
| InChI Key | XSSOJMFOKGTAFU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.13 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57947-82-7 |
| NORMAN SUSDAT | |
| PubChem | 93900 |
| ChemSpider | 84752.0 |
CONTENTS
