Molecule ID: mol16845

SMILES: COc1ccccc1Oc1ccc2c(NCCCNCc3ccco3)ccnc2c1

InChI: InChI=1S/C24H25N3O3/c1-28-23-7-2-3-8-24(23)30-18-9-10-20-21(11-14-27-22(20)16-18)26-13-5-12-25-17-19-6-4-15-29-19/h2-4,6-11,14-16,25H,5,12-13,17H2,1H3,(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.28 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization