Molecule ID: mol2981
SMILES: O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChI: InChI=1S/C13H10Cl2N2O3S/c14-9-1-5-11(6-2-9)16-13(18)17-21(19,20)12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Novartis | 0 » -1 |
| 4.43 | AttenGpKa training set | 0 » -1 |