Molecule ID: mol10203
SMILES: CSc1ncc2[nH]c(C)nc2n1
InChI: InChI=1S/C7H8N4S/c1-4-9-5-3-8-7(12-2)11-6(5)10-4/h3H,1-2H3,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.03 | IUPAC digitized pKa | 2 » 1 |
| 2.83 | IUPAC digitized pKa | 1 » 0 |
| 9.58 | IUPAC digitized pKa | 0 » -1 |