Molecule ID: mol4240
SMILES: Cc1csc(NS(=O)(=O)c2ccc(N)cc2)n1
InChI: InChI=1S/C10H11N3O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |
| 6.46 | QSARToolbox | 0 » -1 |
| 6.46 | QSARToolbox | 0 » -1 |
| 7.12 | OCHEM | 0 » -1 |
| 7.12 | Datawarrior | 0 » -1 |
| 7.79 | IUPAC digitized pKa | 0 » -1 |
| 7.79 | AttenGpKa training set | 0 » -1 |