Molecule ID: mol8271
SMILES: CSc1ncc2[nH]c(SC)nc2n1
InChI: InChI=1S/C7H8N4S2/c1-12-6-8-3-4-5(10-6)11-7(9-4)13-2/h3H,1-2H3,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.16 | IUPAC digitized pKa | 1 » 0 |
| 2.19 | AttenGpKa training set | 1 » 0 |
| 7.73 | AttenGpKa training set | 0 » -1 |
| 7.78 | IUPAC digitized pKa | 0 » -1 |