Molecule ID: mol532
SMILES: CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
InChI: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | OCHEM | 0 » -1 |
| 8.42 | Hunt | 0 » -1 |
| 8.50 | Baltruschat ChEMBL | 0 » -1 |
| 8.50 | AttenGpKa training set | 0 » -1 |
| 8.62 | QSARToolbox | 0 » -1 |
| 8.62 | OCHEM | 0 » -1 |
| 8.62 | Datawarrior | 0 » -1 |
| 8.62 | Baltruschat ChEMBL | 0 » -1 |
| 8.62 | Baltruschat ChEMBL | 0 » -1 |