| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5J2RZ88UH7 |
| EPA CompTox | DTXSID50380723 |
Structure
| InChI Key | YSQLGGQUQDTBSL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5F3O2 |
| Molecular Weight | 190.02 |
| AlogP | 1.73 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 209995-38-0 |
| NORMAN SUSDAT | |
| FDA SRS | 5J2RZ88UH7 |
CONTENTS
