| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70190402 |
| InChI Key | VUIFLGOWWHHEKJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H12Cl1N3O1 |
| Molecular Weight | 297.07 |
| AlogP | 3.46 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 47.78 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 36916-19-5 |
| NORMAN SUSDAT | |
| PubChem | 12246016 |
| ChemSpider | 10509413.0 |