| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3AFE4C3P1F |
| EPA CompTox | DTXSID3049413 |
Structure
| InChI Key | SXPUVBFQXJHYNS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H6O4 |
| Molecular Weight | 190.03 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.42 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 492-94-4 |
| NORMAN SUSDAT | |
| FDA SRS | 3AFE4C3P1F |
| PubChem | 68119 |
| ChemSpider | 61427.0 |
CONTENTS
