| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80445177 |
Structure
| InChI Key | QWHCZVLZUPZGSI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5F9O2 |
| Molecular Weight | 292.01 |
| AlogP | 3.32 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 80705-13-1 |
| NORMAN SUSDAT | |
| PubChem | 10803537 |
| ChemSpider | 8978842.0 |
CONTENTS
