Molecule ID: mol29883
SMILES: NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
InChI: InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | QSARToolbox | -1 » -2 |
| 8.90 | AttenGpKa training set | -1 » -2 |
| 10.70 | AttenGpKa training set | -1 » -2 |