HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(3-(Pyrazin-2-yl)isoxazol-5-yl)benzonitrile
Identifiers & Physical Properties
| Molecular formula | C14H8N4O |
|---|---|
| Average molar mass | 248.24 g/mol |
| SMILES | N#Cc1ccc(-c2cc(-c3cnccn3)no2)cc1 |
| InChIKey | XTUTVMWZNZHPJY-UHFFFAOYSA-N |
| PubChem CID | 44545613 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 75.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 345 |