| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6072180 |
| InChI Key | KYDCGDFUABSMKI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H21Cl3N4O4S1 |
| Molecular Weight | 494.03 |
| AlogP | 3.72 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 114.59 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 70865-32-6 |
| NORMAN SUSDAT | |
| PubChem | 116918 |
| ChemSpider | 100212.0 |