| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CTD99SHH2S |
| EPA CompTox | DTXSID70172304 |
Structure
| InChI Key | WEJHBEDHLLBJFW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6F3NO |
| Molecular Weight | 189.04 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.09 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1891-90-3 |
| NORMAN SUSDAT | |
| FDA SRS | CTD99SHH2S |
| PubChem | 74684 |
CONTENTS
