| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BU4WU6CS2B |
| EPA CompTox | DTXSID70202094 |
| InChI Key | NBTVRDMLLMEWOF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18Cl1N1 |
| Molecular Weight | 211.11 |
| AlogP | 3.53 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 3.24 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 53817-39-3 |
| NORMAN SUSDAT | |
| FDA SRS | BU4WU6CS2B |
| PubChem | 104615 |
| ChemSpider | 94448.0 |