Molecule ID: mol16934

SMILES: c1ccc(CCc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C25H27N3O/c1-2-6-20(7-3-1)9-10-21-11-12-23-24(13-16-28-25(23)18-21)27-15-5-14-26-19-22-8-4-17-29-22/h1-4,6-8,11-13,16-18,26H,5,9-10,14-15,19H2,(H,27,28)

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