| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZL4S2TPT2V |
| EPA CompTox | DTXSID5063786 |
| InChI Key | CQPGDDAKTTWVDD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6Br1N1 |
| Molecular Weight | 146.97 |
| AlogP | 1.69 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 6.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5332-06-9 |
| NORMAN SUSDAT | |
| FDA SRS | ZL4S2TPT2V |
| PubChem | 21412 |
| ChemSpider | 7711.0 |