| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U57XRT21YO |
| EPA CompTox | DTXSID90169170 |
Structure
| InChI Key | CVIJTVPSUNZYMA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H2Br3Cl1O2 |
| Molecular Weight | 341.73 |
| AlogP | 3.2 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17182-43-3 |
| NORMAN SUSDAT | |
| FDA SRS | U57XRT21YO |
| PubChem | 86979 |
| ChemSpider | 78460.0 |
CONTENTS
