Molecule ID: mol25950
SMILES: C(CCc1nnn[nH]1)Cc1nnn[nH]1
InChI: InChI=1S/C6H10N8/c1(3-5-7-11-12-8-5)2-4-6-9-13-14-10-6/h1-4H2,(H,7,8,11,12)(H,9,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.17 | AttenGpKa training set | 0 » -1 |
| 5.17 | QSARToolbox | 0 » -1 |
| 6.09 | AttenGpKa training set | -1 » -2 |