| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 971V0W009H |
| EPA CompTox | DTXSID70239446 |
Structure
| InChI Key | XLTJXJJMUFDQEZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.05 |
| AlogP | 1.3 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.44 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 935-13-7 |
| NORMAN SUSDAT | |
| FDA SRS | 971V0W009H |
| PubChem | 70286 |
| ChemSpider | 63470.0 |
CONTENTS
