| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KES1HB07E4 |
| EPA CompTox | DTXSID8024234 |
Structure
| InChI Key | NVGOPFQZYCNLDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9Cl1F3N3O1 |
| Molecular Weight | 303.04 |
| AlogP | 2.95 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.92 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 27314-13-2 |
| NORMAN SUSDAT | |
| FDA SRS | KES1HB07E4 |
| PubChem | 33775 |
| ChemSpider | 31131.0 |
CONTENTS
