| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6067591 |
| InChI Key | FPZLDEMJTIKTJQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H21Cl1N4O3 |
| Molecular Weight | 424.13 |
| AlogP | 6.57 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 80.33 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 31030-27-0 |
| NORMAN SUSDAT | |
| PubChem | 161687 |
| ChemSpider | 142010.0 |