| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 67WJC4Y2QY |
| EPA CompTox | DTXSID5050428 |
| InChI Key | FXMWUTGUCAKGQL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16Br1N1O2 |
| Molecular Weight | 273.04 |
| AlogP | 2.36 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.48 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 64638-07-9 |
| NORMAN SUSDAT | |
| FDA SRS | 67WJC4Y2QY |
| PubChem | 62065 |
| ChemSpider | 55902.0 |