| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0H4J36GB7B |
| EPA CompTox | DTXSID5067970 |
| InChI Key | PVRYOKQFLBSILA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O1 |
| Molecular Weight | 135.07 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 36357-38-7 |
| NORMAN SUSDAT | |
| FDA SRS | 0H4J36GB7B |
| PubChem | 95292 |
| ChemSpider | 28683.0 |