| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A221572SK5 |
| EPA CompTox | DTXSID70204356 |
| InChI Key | KVAWWXSLBDVXHJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H3Br1Cl1N1O2 |
| Molecular Weight | 246.9 |
| AlogP | 2.95 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 46.26 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5579-85-1 |
| NORMAN SUSDAT | |
| FDA SRS | A221572SK5 |
| PubChem | 21749 |
| ChemSpider | 20441.0 |