Molecule ID: mol32089

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3cc(N4CCCC4)c(Br)cn3)nc2c1

InChI: InChI=1S/C18H19BrN4O2S/c1-25-13-4-5-15-16(9-13)22-18(21-15)26(24)11-12-8-17(14(19)10-20-12)23-6-2-3-7-23/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,21,22)

Experimental Macro pKa Values

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