Molecule ID: mol7113
SMILES: Cc1nc(=N)n(C)c(C)c1-c1ccc(N)cc1
InChI: InChI=1S/C13H16N4/c1-8-12(9(2)17(3)13(15)16-8)10-4-6-11(14)7-5-10/h4-7,15H,14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | IUPAC digitized pKa | 2 » 1 |
| 11.71 | IUPAC digitized pKa | 1 » 0 |