| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2QRD56Y64F |
| EPA CompTox | DTXSID00215132 |
| InChI Key | OBHKONRNYCDRKM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9Cl1N2 |
| Molecular Weight | 240.05 |
| AlogP | 3.95 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 25.78 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6484-25-9 |
| NORMAN SUSDAT | |
| FDA SRS | 2QRD56Y64F |
| PubChem | 80977 |
| ChemSpider | 73062.0 |