| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5023249 |
| InChI Key | XULACPAEUUWKFX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H6Cl2N2O6 |
| Molecular Weight | 343.96 |
| AlogP | 3.89 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 126.74 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10331-57-4 |
| NORMAN SUSDAT | |
| PubChem | 5284586 |
| ChemSpider | 4447636.0 |