Molecule ID: mol3692
SMILES: CN(C)c1ccc(N=Nc2ccccn2)cc1
InChI: InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 2 » 1 |
| 2.00 | OCHEM | 2 » 1 |
| 2.00 | QSARToolbox | 2 » 1 |
| 4.50 | IUPAC digitized pKa | 1 » 0 |
| 4.50 | OCHEM | 1 » 0 |
| 4.50 | QSARToolbox | 1 » 0 |