Molecule ID: mol15209
SMILES: NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
InChI: InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | OCHEM | 0 » -1 |
| 6.70 | Datawarrior | 0 » -1 |
| 6.70 | Baltruschat ChEMBL | 0 » -1 |
| 6.70 | AttenGpKa training set | 0 » -1 |
| 6.75 | OCHEM | 0 » -1 |
| 6.85 | QSARToolbox | 0 » -1 |
| 9.50 | Datawarrior | -1 » -2 |
| 9.50 | AttenGpKa training set | -1 » -2 |