| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JJT2S6XK2E |
| EPA CompTox | DTXSID50184460 |
Structure
| InChI Key | QXDCZSJGEUSERL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6F3N |
| Molecular Weight | 185.05 |
| AlogP | 2.77 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3038-47-9 |
| NORMAN SUSDAT | |
| FDA SRS | JJT2S6XK2E |
| PubChem | 76435 |
CONTENTS
