Molecule ID: mol3734
SMILES: CS(=O)(=O)Nc1cccnc1
InChI: InChI=1S/C6H8N2O2S/c1-11(9,10)8-6-3-2-4-7-5-6/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | IUPAC digitized pKa | 1 » 0 |
| 3.43 | AttenGpKa training set | 1 » 0 |
| 7.02 | IUPAC digitized pKa | 0 » -1 |
| 7.02 | AttenGpKa training set | 0 » -1 |