| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QC354E4T6V |
| EPA CompTox | DTXSID8041533 |
Structure
| InChI Key | PESQEUXEQYJQCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H2Cl4O5 |
| Molecular Weight | 317.87 |
| AlogP | 2.15 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 61.83 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4412-09-3 |
| NORMAN SUSDAT | |
| FDA SRS | QC354E4T6V |
CONTENTS
