| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5069548 |
| InChI Key | SSVJBYGRIFCYNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H22Cl1N5O3 |
| Molecular Weight | 427.14 |
| AlogP | 5.93 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 121.64 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 62163-33-1 |
| NORMAN SUSDAT | |
| PubChem | 112816 |
| ChemSpider | 101112.0 |