Molecule ID: mol8294
SMILES: CSc1nc(C)c2[nH]c(C)nc2n1
InChI: InChI=1S/C8H10N4S/c1-4-6-7(11-5(2)10-6)12-8(9-4)13-3/h1-3H3,(H,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.60 | IUPAC digitized pKa | 2 » 1 |
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.04 | IUPAC digitized pKa | 1 » 0 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |