| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80567181 |
| InChI Key | NZMIRLKHMFERSX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H11N1O2 |
| Molecular Weight | 189.08 |
| AlogP | 1.69 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 50.09 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 99842-68-9 |
| NORMAN SUSDAT | |
| PubChem | 15027268 |
| ChemSpider | 13828702.0 |