Molecule ID: mol32822
SMILES: CN(C)c1ccc(C=Nc2ncc3nc[nH]c3n2)cc1
InChI: InChI=1S/C14H14N6/c1-20(2)11-5-3-10(4-6-11)7-15-14-16-8-12-13(19-14)18-9-17-12/h3-9H,1-2H3,(H,16,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | QSARToolbox | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |