| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40185188 |
Structure
| InChI Key | RKXVBWUJVGVUDT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12Cl2O5 |
| Molecular Weight | 258.01 |
| AlogP | 0.57 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 61.83 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31255-25-1 |
| NORMAN SUSDAT | |
| PubChem | 11276940 |
| ChemSpider | 9451940.0 |
CONTENTS
