| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20234764 |
Structure
| InChI Key | BITJPBJZZOLBEB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.09 |
| AlogP | 1.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85567-30-2 |
| NORMAN SUSDAT | |
| PubChem | 3020799 |
| ChemSpider | 2287589.0 |
CONTENTS
