| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6072635 |
| InChI Key | XLQOBJJPASQKHH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C23H21Cl1N6O5 |
| Molecular Weight | 496.13 |
| AlogP | 7.05 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 146.83 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 72906-16-2 |
| NORMAN SUSDAT | |
| PubChem | 175244 |
| ChemSpider | 152741.0 |