| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P7C6565WVL |
| EPA CompTox | DTXSID30218919 |
| InChI Key | WEUBIWJPIRTWDF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H11Cl1N2 |
| Molecular Weight | 218.06 |
| AlogP | 3.67 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 38.05 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68817-71-0 |
| NORMAN SUSDAT | |
| FDA SRS | P7C6565WVL |
| PubChem | 522323 |
| ChemSpider | 232851.0 |