Molecule ID: mol37936

SMILES: O=C1C=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1ccccc1C(=O)O

InChI: InChI=1S/C17H12N2O6S/c20-15-8-5-10-9-11(26(23,24)25)6-7-12(10)16(15)19-18-14-4-2-1-3-13(14)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
12.20 QSARToolbox -2 » -3
12.20 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization