Molecule ID: mol36466
SMILES: c1ccc(C(=NNc2ccc3ccccc3n2)c2ccccn2)nc1
InChI: InChI=1S/C20H15N5/c1-2-8-16-15(7-1)11-12-19(23-16)24-25-20(17-9-3-5-13-21-17)18-10-4-6-14-22-18/h1-14H,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.80 | QSARToolbox | 3 » 2 |
| 5.71 | QSARToolbox | 1 » 0 |