Molecule ID: mol16927

SMILES: N#Cc1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C25H24N4O/c26-17-20-6-4-19(5-7-20)15-21-8-9-23-24(10-13-29-25(23)16-21)28-12-2-11-27-18-22-3-1-14-30-22/h1,3-10,13-14,16,27H,2,11-12,15,18H2,(H,28,29)

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