| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1071799 |
| InChI Key | XESUQLJISQTRDH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H23Cl1N8O4 |
| Molecular Weight | 486.15 |
| AlogP | 3.71 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 199.07 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68877-62-3 |
| NORMAN SUSDAT | |
| PubChem | 111685 |
| ChemSpider | 100180.0 |