| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6066313 |
| InChI Key | XKXXASMSIPLSHL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H12Cl1N1O6S1 |
| Molecular Weight | 429.01 |
| AlogP | 3.47 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 123.76 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 18122-67-3 |
| NORMAN SUSDAT | |
| PubChem | 87461 |
| ChemSpider | 78125.0 |