Molecule ID: mol28574
SMILES: Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChI: InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.87 | AttenGpKa training set | 1 » 0 |
| 5.52 | AttenGpKa training set | 0 » -1 |