| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6068985 |
| InChI Key | JPMHUDBOKDBBLG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5F5O1 |
| Molecular Weight | 164.03 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54949-74-5 |
| NORMAN SUSDAT | |
| PubChem | 108644 |
| ChemSpider | 97689.0 |