| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5R219M9TJF |
| EPA CompTox | DTXSID1059282 |
| InChI Key | LSBDFXRDZJMBSC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O1 |
| Molecular Weight | 135.07 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 103-81-1 |
| NORMAN SUSDAT | |
| FDA SRS | 5R219M9TJF |
| PubChem | 7680 |
| ChemSpider | 7397.0 |