| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9067568 |
| InChI Key | KONNKNHQEUEYPZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H8Cl4N4O3 |
| Molecular Weight | 431.94 |
| AlogP | 5.18 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 87.84 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 30707-68-7 |
| NORMAN SUSDAT | |
| PubChem | 121745 |
| ChemSpider | 108626.0 |