Molecule ID: mol7048
SMILES: CN(C)c1ccc(-c2cnc(N)nc2)cc1
InChI: InChI=1S/C12H14N4/c1-16(2)11-5-3-9(4-6-11)10-7-14-12(13)15-8-10/h3-8H,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.48 | IUPAC digitized pKa | 2 » 1 |
| 4.67 | IUPAC digitized pKa | 1 » 0 |