Molecule ID: mol15210
SMILES: NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
InChI: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 1 » 0 |
| 7.00 | Baltruschat ChEMBL | 0 » -1 |
| 7.90 | Baltruschat ChEMBL | 0 » -1 |
| 8.00 | QSARToolbox | 0 » -1 |
| 8.42 | Datawarrior | 0 » -1 |
| 8.42 | OCHEM | 0 » -1 |
| 8.53 | Baltruschat ChEMBL | 0 » -1 |
| 8.74 | AttenGpKa training set | 0 » -1 |
| 8.75 | OCHEM | 0 » -1 |
| 8.76 | OCHEM | 0 » -1 |
| 8.78 | OCHEM | 0 » -1 |
| 8.78 | OCHEM | 0 » -1 |
| 8.84 | OCHEM | -1 » -2 |
| 8.84 | QSARToolbox | -1 » -2 |
| 8.84 | QSARToolbox | -1 » -2 |
| 8.84 | QSARToolbox | -1 » -2 |
| 9.86 | AttenGpKa training set | -1 » -2 |
| 9.88 | OCHEM | -1 » -2 |
| 9.95 | OCHEM | -1 » -2 |
| 9.95 | Baltruschat ChEMBL | -1 » -2 |
| 10.07 | Datawarrior | -1 » -2 |
| 10.07 | OCHEM | -1 » -2 |
| 10.07 | Baltruschat ChEMBL | -1 » -2 |
| 10.13 | OCHEM | -1 » -2 |
| 10.13 | OCHEM | -1 » -2 |