Molecule ID: mol37934

SMILES: O=C1C=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1ccc(C(=O)O)cc1

InChI: InChI=1S/C17H12N2O6S/c20-15-8-3-11-9-13(26(23,24)25)6-7-14(11)16(15)19-18-12-4-1-10(2-5-12)17(21)22/h1-9,18H,(H,21,22)(H,23,24,25)/b19-16-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization