| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UN2X35RW4F |
| EPA CompTox | DTXSID0062848 |
| InChI Key | GUASOEMIAFJCCZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N2O2 |
| Molecular Weight | 165.07 |
| AlogP | 2.19 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.61 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3108-15-4 |
| NORMAN SUSDAT | |
| FDA SRS | UN2X35RW4F |
| PubChem | 20341068 |
| ChemSpider | 15288195.0 |