| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7072917 |
| InChI Key | XBRHSBAEGUSQAN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C27H31Cl1N8O2 |
| Molecular Weight | 534.23 |
| AlogP | 7.06 |
| Hydrogen Bond Acceptor | 9.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 131.87 |
| Heavy Atoms | 38.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85392-21-8 |
| NORMAN SUSDAT | |
| PubChem | 163457 |
| ChemSpider | 143395.0 |