| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TOI70DF536 |
Structure
| InChI Key | XUOAKFNMJMYKBY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H10F6N2O2S1 |
| Molecular Weight | 420.04 |
| AlogP | 4.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 62.82 |
| Heavy Atoms | 28.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 62894-89-7 |
| NORMAN SUSDAT | |
| FDA SRS | TOI70DF536 |
CONTENTS
