Molecule ID: mol3379
SMILES: Cc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1
InChI: InChI=1S/C13H14N2O2S/c1-10-2-4-11(5-3-10)15-12-6-8-13(9-7-12)18(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | IUPAC digitized pKa | 1 » 0 |
| 9.82 | IUPAC digitized pKa | 0 » -1 |