| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3H49P59ZA9 |
| EPA CompTox | DTXSID7062293 |
| InChI Key | QELIHZVLELFSKH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12N3O1 |
| Molecular Weight | 190.1 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.62 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2248-34-2 |
| NORMAN SUSDAT | |
| FDA SRS | 3H49P59ZA9 |
| PubChem | 18689297 |
| ChemSpider | 13703312.0 |