| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00233174 |
| InChI Key | RSJDUDFFVNFZPH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H20Cl1N3 |
| Molecular Weight | 325.13 |
| AlogP | 4.31 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 39.06 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84254-99-9 |
| NORMAN SUSDAT | |
| PubChem | 96422 |
| ChemSpider | 87043.0 |