| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90590581 |
| InChI Key | JDBJDWJKDMQNBT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H5Br1Cl1N1O1 |
| Molecular Weight | 256.92 |
| AlogP | 3.36 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 33.12 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 857762-32-4 |
| NORMAN SUSDAT | |
| ChemSpider | 16499775.0 |