Molecule ID: mol37929

SMILES: Cc1ccccc1N/N=C1\C(=O)c2ccc(S(=O)(=O)O)cc2C=C1S(=O)(=O)O

InChI: InChI=1S/C17H14N2O7S2/c1-10-4-2-3-5-14(10)18-19-16-15(28(24,25)26)9-11-8-12(27(21,22)23)6-7-13(11)17(16)20/h2-9,18H,1H3,(H,21,22,23)(H,24,25,26)/b19-16-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.00 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization