Molecule ID: mol15167
SMILES: Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChI: InChI=1S/C11H12N2O3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8,12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | Datawarrior | 1 » 0 |
| 2.25 | OCHEM | 1 » 0 |
| 2.26 | AttenGpKa training set | 1 » 0 |
| 10.88 | AttenGpKa training set | 0 » -1 |
| 10.89 | Datawarrior | 0 » -1 |
| 10.89 | OCHEM | 0 » -1 |