| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 66B1G5582O |
| EPA CompTox | DTXSID0041771 |
| InChI Key | JKVBWACRUUUEAR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H6Cl4N2S1 |
| Molecular Weight | 349.9 |
| AlogP | 7.09 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 24.72 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2274-74-0 |
| NORMAN SUSDAT | |
| FDA SRS | 66B1G5582O |