| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9GL8XM96T9 |
| EPA CompTox | DTXSID20146510 |
| InChI Key | AEKOWUCMHAZKCM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H22Cl1N3O1 |
| Molecular Weight | 343.15 |
| AlogP | 4.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 59.35 |
| Heavy Atoms | 24.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1045-51-8 |
| NORMAN SUSDAT | |
| FDA SRS | 9GL8XM96T9 |
| PubChem | 70587 |
| ChemSpider | 63756.0 |