| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70183672 |
| InChI Key | LAGFUXOTKFAPEC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N3 |
| Molecular Weight | 159.08 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 30.71 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 29466-14-6 |
| NORMAN SUSDAT | |
| PubChem | 169042 |
| ChemSpider | 147847.0 |