Molecule ID: mol37971

SMILES: O=C1C=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1ccccc1

InChI: InChI=1S/C16H12N2O4S/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12/h1-10,17H,(H,20,21,22)/b18-16-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.80 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization