Molecule ID: mol21799
SMILES: Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChI: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.16 | AttenGpKa training set | 1 » 0 |
| 1.60 | OCHEM | 1 » 0 |
| 2.20 | OCHEM | 1 » 0 |
| 2.25 | AttenGpKa training set | 1 » 0 |
| 2.41 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |