Molecule ID: mol4674
SMILES: Sc1cnc2ccccc2n1
InChI: InChI=1S/C8H6N2S/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.24 | AttenGpKa training set | 1 » 0 |
| -1.11 | Datawarrior | 1 » 0 |
| -1.11 | OCHEM | 1 » 0 |
| 7.16 | AttenGpKa training set | 0 » -1 |
| 7.20 | IUPAC digitized pKa | 0 » -1 |