Molecule ID: mol16870

SMILES: CN(C)c1cccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)c1

InChI: InChI=1S/C28H30N4O3/c1-32(2)21-5-3-6-22(16-21)35-23-8-9-24-25(11-14-31-26(24)17-23)30-13-4-12-29-18-20-7-10-27-28(15-20)34-19-33-27/h3,5-11,14-17,29H,4,12-13,18-19H2,1-2H3,(H,30,31)

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