Molecule ID: mol28819
SMILES: NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O
InChI: InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.69 | OCHEM | 0 » -1 |
| 8.60 | AttenGpKa training set | -1 » -2 |
| 9.71 | OCHEM | -1 » -2 |