| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E32QVC5PJT |
| EPA CompTox | DTXSID40182490 |
| InChI Key | BXRQEJKKEDDSBF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.05 |
| AlogP | 2.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 65.26 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 28232-53-3 |
| NORMAN SUSDAT | |
| FDA SRS | E32QVC5PJT |
| PubChem | 119902 |
| ChemSpider | 107055.0 |