Molecule ID: mol25882
SMILES: C(c1nnn[nH]1)c1nnn[nH]1
InChI: InChI=1S/C3H4N8/c1(2-4-8-9-5-2)3-6-10-11-7-3/h1H2,(H,4,5,8,9)(H,6,7,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | AttenGpKa training set | -1 » -2 |
| 3.42 | QSARToolbox | -1 » -2 |
| 5.30 | AttenGpKa training set | -1 » -2 |