| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5068239 |
| InChI Key | FFSCMMOUQKDVKY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H11Cl3N4O2 |
| Molecular Weight | 395.99 |
| AlogP | 3.71 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 87.79 |
| Heavy Atoms | 25.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40567-18-8 |
| NORMAN SUSDAT | |
| PubChem | 170394 |
| ChemSpider | 148982.0 |