| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZU5Z3SYA77 |
| EPA CompTox | DTXSID70188389 |
| InChI Key | JTINRXZCXXXKMA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4F9N1O3 |
| Molecular Weight | 309.0 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34839-44-6 |
| NORMAN SUSDAT | |
| FDA SRS | ZU5Z3SYA77 |
| PubChem | 3015716 |
| ChemSpider | 21229931.0 |