Molecule ID: mol3733
SMILES: CS(=O)(=O)Nc1ccccn1
InChI: InChI=1S/C6H8N2O2S/c1-11(9,10)8-6-4-2-3-5-7-6/h2-5H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | IUPAC digitized pKa | 1 » 0 |
| 1.10 | AttenGpKa training set | 1 » 0 |
| 8.02 | IUPAC digitized pKa | 0 » -1 |
| 8.02 | AttenGpKa training set | 0 » -1 |