| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K97PJY742J |
| EPA CompTox | DTXSID20232003 |
Structure
| InChI Key | BYCUWCJUPSUFBX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3F5N2 |
| Molecular Weight | 198.02 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 38.05 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 828-73-9 |
| NORMAN SUSDAT | |
| FDA SRS | K97PJY742J |
| PubChem | 13236 |
CONTENTS
