Molecule ID: mol28761
SMILES: CC(C)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1
InChI: InChI=1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | AttenGpKa training set | 0 » -1 |