Molecule ID: mol11794
SMILES: Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChI: InChI=1S/C12H13N3O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | AttenGpKa training set | 1 » 0 |
| 7.81 | IUPAC digitized pKa | 0 » -1 |
| 8.02 | AttenGpKa training set | 0 » -1 |