Molecule ID: mol29945
SMILES: CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
InChI: InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | AttenGpKa training set | 0 » -1 |