Molecule ID: mol36188

SMILES: N#Cc1ccc(-c2nc3ccccc3[nH]2)c(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)c1

InChI: InChI=1S/C22H16N4O5S/c23-12-14-5-10-17(22-24-18-3-1-2-4-19(18)25-22)20(11-14)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
6.75 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization