| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2Q492H3AMN |
| EPA CompTox | DTXSID10233988 |
| InChI Key | FPEHIWWVZSYTKT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H13Br1N2O1 |
| Molecular Weight | 280.02 |
| AlogP | 2.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 34.37 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84946-17-8 |
| NORMAN SUSDAT | |
| FDA SRS | 2Q492H3AMN |
| PubChem | 25079290 |
| ChemSpider | 21164444.0 |