Molecule ID: mol3324
SMILES: Nc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1
InChI: InChI=1S/C12H13N3O2S/c13-9-1-3-10(4-2-9)15-11-5-7-12(8-6-11)18(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.85 | IUPAC digitized pKa | 2 » 1 |
| 10.22 | IUPAC digitized pKa | 0 » -1 |