Molecule ID: mol4550
SMILES: Cc1cccc2nc(N)sc12
InChI: InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | IUPAC digitized pKa | 1 » 0 |
| 4.25 | AttenGpKa training set | 1 » 0 |
| 4.60 | OCHEM | 1 » 0 |