Molecule ID: mol8314
SMILES: Cc1ncc2nc(S)n(C)c2n1
InChI: InChI=1S/C7H8N4S/c1-4-8-3-5-6(9-4)11(2)7(12)10-5/h3H,1-2H3,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | IUPAC digitized pKa | 1 » 0 |
| 2.87 | AttenGpKa training set | 1 » 0 |
| 7.61 | AttenGpKa training set | 0 » -1 |
| 7.66 | IUPAC digitized pKa | 0 » -1 |