| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60232986 |
| InChI Key | BDYHHBOQBZEHLL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H11Cl1N2 |
| Molecular Weight | 242.06 |
| AlogP | 3.99 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.82 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84100-59-4 |
| NORMAN SUSDAT | |
| PubChem | 97024 |
| ChemSpider | 87590.0 |