Molecule ID: mol36190

SMILES: N#Cc1ccc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(OCC(=O)O)cc3)nc2c1

InChI: InChI=1S/C22H16N4O5S/c23-12-14-5-10-19-20(11-14)25-22(24-19)17-3-1-2-4-18(17)26-32(29,30)16-8-6-15(7-9-16)31-13-21(27)28/h1-11,26H,13H2,(H,24,25)(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.21 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization