Molecule ID: mol10101
SMILES: Cc1cnc2[nH]cnc(=O)c2n1
InChI: InChI=1S/C7H6N4O/c1-4-2-8-6-5(11-4)7(12)10-3-9-6/h2-3H,1H3,(H,8,9,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.19 | QSARToolbox | 0 » -1 |
| 8.19 | IUPAC digitized pKa | 0 » -1 |
| 8.19 | AttenGpKa training set | 0 » -1 |
| 8.19 | AttenGpKa training set | 0 » -1 |