Molecule ID: mol32086

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3nccc(N(C)C)c3F)nc2c1

InChI: InChI=1S/C16H17FN4O2S/c1-21(2)14-6-7-18-13(15(14)17)9-24(22)16-19-11-5-4-10(23-3)8-12(11)20-16/h4-8H,9H2,1-3H3,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.12 OCHEM 1 » 0
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Charge States and Microspecies Visualization