Molecule ID: mol16874

SMILES: COc1ccc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C24H25N3O2/c1-28-20-8-5-18(6-9-20)19-7-10-22-23(11-14-27-24(22)16-19)26-13-3-12-25-17-21-4-2-15-29-21/h2,4-11,14-16,25H,3,12-13,17H2,1H3,(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