Molecule ID: mol28653
SMILES: NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChI: InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.15 | AttenGpKa training set | 0 » -1 |
| 9.18 | AttenGpKa training set | -1 » -2 |