| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PB71YVH5F2 |
| EPA CompTox | DTXSID1057747 |
| InChI Key | IZQGELJKDARDMZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H6Cl3N1O2 |
| Molecular Weight | 288.95 |
| AlogP | 4.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.1 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4462-55-9 |
| NORMAN SUSDAT | |
| FDA SRS | PB71YVH5F2 |
| PubChem | 78212 |
| ChemSpider | 70588.0 |