| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9069217 |
| InChI Key | MVVWURWLNQHWMV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H25Cl1N6O6 |
| Molecular Weight | 504.15 |
| AlogP | 5.25 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 155.17 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 58049-96-0 |
| NORMAN SUSDAT | |
| PubChem | 93923 |
| ChemSpider | 84771.0 |