Molecule ID: mol25335
SMILES: n1n[nH]c(-c2nnn[nH]2)n1
InChI: InChI=1S/C2H2N8/c3-1(4-8-7-3)2-5-9-10-6-2/h(H,3,4,7,8)(H,5,6,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -10.91 | AttenGpKa training set | 3 » 2 |
| -5.47 | AttenGpKa training set | 4 » 3 |
| 1.41 | AttenGpKa training set | 0 » -1 |
| 4.25 | AttenGpKa training set | -1 » -2 |