Molecule ID: mol32087

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3cc(N(C)C)c(Br)cn3)nc2c1

InChI: InChI=1S/C16H17BrN4O2S/c1-21(2)15-6-10(18-8-12(15)17)9-24(22)16-19-13-5-4-11(23-3)7-14(13)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
5.80 OCHEM 1 » 0
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Charge States and Microspecies Visualization