Molecule ID: mol3735
SMILES: CS(=O)(=O)Nc1ccncc1
InChI: InChI=1S/C6H8N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h2-5H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.64 | IUPAC digitized pKa | 1 » 0 |
| 3.64 | AttenGpKa training set | 1 » 0 |
| 9.07 | IUPAC digitized pKa | 0 » -1 |
| 9.07 | AttenGpKa training set | 0 » -1 |