| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70183839 |
| InChI Key | YKSXEJZFIQAUHJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3Br1Cl1N1O2 |
| Molecular Weight | 234.9 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 29682-39-1 |
| NORMAN SUSDAT | |
| PubChem | 34667 |
| ChemSpider | 31905.0 |