| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 52O60099FY |
| EPA CompTox | DTXSID6024965 |
Structure
| InChI Key | FBCCMZVIWNDFMO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H1Cl3O1 |
| Molecular Weight | 145.91 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79-36-7 |
| NORMAN SUSDAT | |
| FDA SRS | 52O60099FY |
| PubChem | 6593 |
| ChemSpider | 21106100.0 |
CONTENTS
