| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TL6BBB4SAN |
| EPA CompTox | DTXSID20164138 |
Structure
| InChI Key | SMXPFEBIAASLOR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H3F5O3 |
| Molecular Weight | 242.0 |
| AlogP | 1.85 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14892-14-9 |
| NORMAN SUSDAT | |
| FDA SRS | TL6BBB4SAN |
| PubChem | 84680 |
CONTENTS
