Molecule ID: mol10598
SMILES: Cc1nc2cnc(=O)[nH]c2n(C)c1=O
InChI: InChI=1S/C8H8N4O2/c1-4-7(13)12(2)6-5(10-4)3-9-8(14)11-6/h3H,1-2H3,(H,9,11,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.41 | IUPAC digitized pKa | 0 » -1 |
| 7.41 | AttenGpKa training set | 0 » -1 |