| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B4JCP8R5GJ |
| EPA CompTox | DTXSID4060527 |
Structure
| InChI Key | YZERDTREOUSUHF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7HF5O2 |
| Molecular Weight | 211.99 |
| AlogP | 2.08 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 602-94-8 |
| NORMAN SUSDAT | |
| FDA SRS | B4JCP8R5GJ |
| PubChem | 11770 |
CONTENTS
