Molecule ID: mol11914
SMILES: O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1O
InChI: InChI=1S/C13H10N2O6S/c16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21/h1-7,16H,(H,17,18)(H,19,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.38 | IUPAC digitized pKa | -1 » -2 |
| 11.04 | IUPAC digitized pKa | -2 » -3 |
| 11.26 | QSARToolbox | -2 » -3 |