| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2HC7X6T2RR |
| EPA CompTox | DTXSID00180836 |
| InChI Key | ZILSBZLQGRBMOR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O2 |
| Molecular Weight | 151.06 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.48 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2620-50-0 |
| NORMAN SUSDAT | |
| FDA SRS | 2HC7X6T2RR |
| PubChem | 75799 |
| ChemSpider | 68308.0 |