Molecule ID: mol4564
SMILES: Sc1cnnc2ccccc12
InChI: InChI=1S/C8H6N2S/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.83 | AttenGpKa training set | 1 » 0 |
| 7.09 | AttenGpKa training set | 0 » -1 |
| 7.13 | IUPAC digitized pKa | 0 » -1 |