| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VNU2JFS3LS |
| EPA CompTox | DTXSID60178633 |
| InChI Key | OQMMGSQEZLAGCX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H6Cl3N1O3 |
| Molecular Weight | 316.94 |
| AlogP | 5.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2392-48-5 |
| NORMAN SUSDAT | |
| FDA SRS | VNU2JFS3LS |
| PubChem | 75448 |
| ChemSpider | 67978.0 |