| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2E35P7HJI2 |
| EPA CompTox | DTXSID3026190 |
Structure
| InChI Key | VYWPPRLJNVHPEU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5Cl3O1 |
| Molecular Weight | 221.94 |
| AlogP | 3.41 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4252-78-2 |
| NORMAN SUSDAT | |
| FDA SRS | 2E35P7HJI2 |
| PubChem | 20250 |
| ChemSpider | 19076.0 |
CONTENTS
