| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WJ7VK23ZAF |
| EPA CompTox | DTXSID2067377 |
Structure
| InChI Key | NCKTXJDJNMSYDR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.06 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 49.69 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 28334-98-7 |
| NORMAN SUSDAT | |
| FDA SRS | WJ7VK23ZAF |
| PubChem | 119928 |
| ChemSpider | 3340.0 |
CONTENTS
