Molecule ID: mol2952

SMILES: N#Cc1c(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c1=O

InChI: InChI=1S/C19H12Cl2N4O2S/c20-12-3-1-11(2-4-12)17-15(9-22)18(27)25-19(24-17)28-10-16(26)23-14-7-5-13(21)6-8-14/h1-8H,10H2,(H,23,26)(H,24,25,27)

Experimental Macro pKa Values

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