Molecule ID: mol16939

SMILES: CC(C)Cc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1

InChI: InChI=1S/C24H29N3O2/c1-17(2)12-18-4-6-20-21(8-11-27-22(20)13-18)26-10-3-9-25-15-19-5-7-23-24(14-19)29-16-28-23/h4-8,11,13-14,17,25H,3,9-10,12,15-16H2,1-2H3,(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization