Molecule ID: mol32091

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3cc(N4CCCCC4)c(Br)cn3)nc2c1

InChI: InChI=1S/C19H21BrN4O2S/c1-26-14-5-6-16-17(10-14)23-19(22-16)27(25)12-13-9-18(15(20)11-21-13)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,22,23)

Experimental Macro pKa Values

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