Molecule ID: mol16890

SMILES: c1ccc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1

InChI: InChI=1S/C23H23N3O/c1-2-6-18(7-3-1)19-9-10-21-22(11-14-26-23(21)16-19)25-13-5-12-24-17-20-8-4-15-27-20/h1-4,6-11,14-16,24H,5,12-13,17H2,(H,25,26)

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