| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D3MJ472AQY |
| EPA CompTox | DTXSID9059967 |
Structure
| InChI Key | SHMNLEQWIMKCQA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3ClF5O |
| Molecular Weight | 181.96 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 422-59-3 |
| NORMAN SUSDAT | |
| FDA SRS | D3MJ472AQY |
| PubChem | 67911 |
CONTENTS
