Molecule ID: mol4593
SMILES: Sc1nncc2ccccc12
InChI: InChI=1S/C8H6N2S/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.43 | AttenGpKa training set | 2 » 1 |
| 9.98 | AttenGpKa training set | 0 » -1 |
| 9.99 | IUPAC digitized pKa | 0 » -1 |