Molecule ID: mol20280
SMILES: Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChI: InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.78 | AttenGpKa training set | 1 » 0 |
| 4.57 | Baltruschat ChEMBL | 0 » -1 |
| 4.57 | AttenGpKa training set | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |