| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20379982 |
| InChI Key | OHNVFWYDJQNNQO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H5F17O4 |
| Molecular Weight | 547.99 |
| AlogP | 5.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 230295-05-3 |
| NORMAN SUSDAT | |
| PubChem | 2776314 |
| ChemSpider | 2056633.0 |