Molecule ID: mol16929

SMILES: c1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C24H25N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h1-4,6-11,14-15,17,25H,5,12-13,16,18H2,(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