| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50880415 |
| InChI Key | HMXSIEIEXLGIET-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H5F17O1 |
| Molecular Weight | 476.01 |
| AlogP | 5.78 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 12.53 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 38565-53-6 |
| NORMAN SUSDAT | |
| PubChem | 571982 |
| ChemSpider | 497333.0 |