| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M42U9QKL7X |
| EPA CompTox | DTXSID80234366 |
Structure
| InChI Key | XYNDDBJXUBHBOI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.03 |
| AlogP | 2.74 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85187-22-0 |
| NORMAN SUSDAT | |
| FDA SRS | M42U9QKL7X |
| PubChem | 2778814 |
CONTENTS
