| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40452923 |
Structure
| InChI Key | SGVUAJWRAOSPNC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6F2N2O1 |
| Molecular Weight | 160.04 |
| AlogP | 1.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 166524-65-8 |
| NORMAN SUSDAT | |
| PubChem | 11040985 |
| ChemSpider | 9216153.0 |
CONTENTS
