Molecule ID: mol10599
SMILES: Cc1nc2c(=O)nc[nH]c2n(C)c1=O
InChI: InChI=1S/C8H8N4O2/c1-4-8(14)12(2)6-5(11-4)7(13)10-3-9-6/h3H,1-2H3,(H,9,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | IUPAC digitized pKa | 0 » -1 |
| 7.81 | AttenGpKa training set | 0 » -1 |