Molecule ID: mol8160
SMILES: CSC1=Nc2nccnc2CN1
InChI: InChI=1S/C7H8N4S/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-3H,4H2,1H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 5.01 | AttenGpKa training set | 1 » 0 |