Molecule ID: mol28448
SMILES: Nc1ccc(S(=O)(=O)NC(=O)CCl)cc1
InChI: InChI=1S/C8H9ClN2O3S/c9-5-8(12)11-15(13,14)7-3-1-6(10)2-4-7/h1-4H,5,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.60 | AttenGpKa training set | 2 » 1 |
| 3.79 | AttenGpKa training set | 0 » -1 |