| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FYG80OXZ0L |
| EPA CompTox | DTXSID3041297 |
Structure
| InChI Key | HJEINPVZRDJRBY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl2O5S1 |
| Molecular Weight | 285.95 |
| AlogP | 2.19 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 149-26-8 |
| NORMAN SUSDAT | |
| FDA SRS | FYG80OXZ0L |
| ChemSpider | 8377.0 |
CONTENTS
