| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R6ONM9F2AU |
| EPA CompTox | DTXSID20212325 |
| InChI Key | ILRVKOYYFFNXDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O1 |
| Molecular Weight | 135.07 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6304-16-1 |
| NORMAN SUSDAT | |
| FDA SRS | R6ONM9F2AU |
| PubChem | 80552 |
| ChemSpider | 72745.0 |