| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4068581 |
Structure
| InChI Key | USXHLNDEUDDSKZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.09 |
| AlogP | 0.97 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50789-30-5 |
| NORMAN SUSDAT | |
| PubChem | 170903 |
| ChemSpider | 149416.0 |
CONTENTS
