| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60880224 |
| InChI Key | UKOJGDIRVHIDJM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H9F31O3 |
| Molecular Weight | 898.01 |
| AlogP | 9.92 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 17.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 55.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16083-78-6 |
| NORMAN SUSDAT | |
| PubChem | 16204988 |
| ChemSpider | 17333251.0 |