Molecule ID: mol16878

SMILES: c1cc(NCCCNCc2ccc3c(c2)OCO3)c2ccc(Cc3ccc4c(c3)OCO4)cc2n1

InChI: InChI=1S/C28H27N3O4/c1(9-29-16-21-4-7-26-28(15-21)35-18-33-26)10-30-23-8-11-31-24-13-19(2-5-22(23)24)12-20-3-6-25-27(14-20)34-17-32-25/h2-8,11,13-15,29H,1,9-10,12,16-18H2,(H,30,31)

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