| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6D2RTW7CSC |
| EPA CompTox | DTXSID00196558 |
| InChI Key | WJKPUMBLABGUCQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H10Br1Cl1O1 |
| Molecular Weight | 259.96 |
| AlogP | 3.65 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4559-96-0 |
| NORMAN SUSDAT | |
| FDA SRS | 6D2RTW7CSC |
| PubChem | 78317 |
| ChemSpider | 70689.0 |