| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7W576V407R |
| EPA CompTox | DTXSID20874048 |
| InChI Key | PMJXPPBTJCUKGB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17N6 |
| Molecular Weight | 245.15 |
| AlogP | -0.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 50.48 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 12221-52-2 |
| NORMAN SUSDAT | |
| FDA SRS | 7W576V407R |
| PubChem | 91569 |
| ChemSpider | 82681.0 |