Molecule ID: mol28600
SMILES: Nc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1
InChI: InChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-20(18,19)12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.48 | AttenGpKa training set | 2 » 1 |
| 2.43 | AttenGpKa training set | 2 » 1 |
| 5.20 | AttenGpKa training set | 0 » -1 |