| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50381073 |
Structure
| InChI Key | PPSAKBBLKCJDCR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H1F15O4 |
| Molecular Weight | 445.96 |
| AlogP | 4.31 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 27.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 137780-69-9 |
| NORMAN SUSDAT | |
| PubChem | 2778677 |
| ChemSpider | 2058926.0 |
CONTENTS
