| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KUE3ZY3J1F |
| EPA CompTox | DTXSID8045012 |
| InChI Key | PXXJHWLDUBFPOL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.07 |
| AlogP | 0.97 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 49.87 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 618-39-3 |
| NORMAN SUSDAT | |
| FDA SRS | KUE3ZY3J1F |
| PubChem | 2332 |
| ChemSpider | 2242.0 |