| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00190117 |
| InChI Key | FTUHJYUSTWIPBN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H11Cl1N2O1 |
| Molecular Weight | 282.06 |
| AlogP | 4.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 34.89 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 36663-00-0 |
| NORMAN SUSDAT | |
| PubChem | 703492 |
| ChemSpider | 613253.0 |