| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 55F6F4XX8G |
| EPA CompTox | DTXSID40186473 |
Structure
| InChI Key | SINIIFNWZPCJGU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H4BrF3O2 |
| Molecular Weight | 267.93 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 328-89-2 |
| NORMAN SUSDAT | |
| FDA SRS | 55F6F4XX8G |
| PubChem | 67605 |
CONTENTS
