| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IS19QHB8AK |
| EPA CompTox | DTXSID8059928 |
Structure
| InChI Key | YUDUFRYTKFGQCL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H2F4O4 |
| Molecular Weight | 189.99 |
| AlogP | 0.43 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 377-38-8 |
| NORMAN SUSDAT | |
| FDA SRS | IS19QHB8AK |
| PubChem | 67833 |
| ChemSpider | 61150.0 |
CONTENTS
