| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PSN9ALL3TP |
| EPA CompTox | DTXSID90175458 |
| InChI Key | QETSMUIBVUASOJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H8F6O |
| Molecular Weight | 318.05 |
| AlogP | 4.96 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 21221-93-2 |
| NORMAN SUSDAT | |
| FDA SRS | PSN9ALL3TP |
| PubChem | 88830 |