| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JU5J5943SE |
| EPA CompTox | DTXSID30886475 |
Structure
| InChI Key | JBNBHRIGUASWJK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8Cl2O4 |
| Molecular Weight | 213.98 |
| AlogP | 0.55 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 62173-55-1 |
| NORMAN SUSDAT | |
| FDA SRS | JU5J5943SE |
| PubChem | 95406 |
CONTENTS
