| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00205851 |
| InChI Key | XYJMEPSKBLBCEX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C23H17Cl1N2O5 |
| Molecular Weight | 436.08 |
| AlogP | 4.24 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 122.21 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 57232-98-1 |
| NORMAN SUSDAT | |
| PubChem | 93589 |
| ChemSpider | 84484.0 |