| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZU7K80U0CY |
| EPA CompTox | DTXSID2042220 |
Structure
| InChI Key | SAPGTCDSBGMXCD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H12Cl1F1N2O1 |
| Molecular Weight | 314.06 |
| AlogP | 3.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.01 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63284-71-9 |
| NORMAN SUSDAT | |
| FDA SRS | ZU7K80U0CY |
| PubChem | 91683 |
| ChemSpider | 82786.0 |
CONTENTS
