| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10200615 |
Structure
| InChI Key | CAWRWIWCXWVNCB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11Cl1O4 |
| Molecular Weight | 182.03 |
| AlogP | -0.22 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 52637-01-1 |
| NORMAN SUSDAT | |
| PubChem | 104269 |
| ChemSpider | 94132.0 |
CONTENTS
