| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8CN9S8D5VT |
| EPA CompTox | DTXSID20168555 |
Structure
| InChI Key | QAZOKVGARKDTKF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8N2O3 |
| Molecular Weight | 228.05 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 69.15 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16837-39-1 |
| NORMAN SUSDAT | |
| FDA SRS | 8CN9S8D5VT |
| PubChem | 85608 |
| ChemSpider | 77208.0 |
CONTENTS
