| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J6M66NB3BZ |
| EPA CompTox | DTXSID80204488 |
Structure
| InChI Key | XJAVADKMAMZXPW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H5F13O2 |
| Molecular Weight | 404.01 |
| AlogP | 4.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 25.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 559-11-5 |
| NORMAN SUSDAT | |
| FDA SRS | J6M66NB3BZ |
| PubChem | 11211 |
| ChemSpider | 10738.0 |
CONTENTS
