Molecule ID: mol25893
SMILES: C(Cc1nnn[nH]1)c1nnn[nH]1
InChI: InChI=1S/C4H6N8/c1(3-5-9-10-6-3)2-4-7-11-12-8-4/h1-2H2,(H,5,6,9,10)(H,7,8,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.42 | AttenGpKa training set | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 5.74 | AttenGpKa training set | -1 » -2 |