| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JBC6TP5BZ9 |
| EPA CompTox | DTXSID80176772 |
| InChI Key | YNOPIKHMZIOWHS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H5F6NO |
| Molecular Weight | 257.03 |
| AlogP | 3.61 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.08 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22227-26-5 |
| NORMAN SUSDAT | |
| FDA SRS | JBC6TP5BZ9 |
| PubChem | 519927 |