Molecule ID: mol32528
SMILES: N#CC(C#N)=NNc1ccc(N=Nc2ccccc2)cc1
InChI: InChI=1S/C15H10N6/c16-10-15(11-17)21-20-14-8-6-13(7-9-14)19-18-12-4-2-1-3-5-12/h1-9,20H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.87 | OCHEM | 2 » 1 |
| 7.33 | OCHEM | 0 » -1 |
| 7.33 | QSARToolbox | 0 » -1 |