Molecule ID: mol16858

SMILES: COc1ccc(Oc2ccc3c(NCCCNCc4cc(F)ccc4OC)ccnc3c2)cc1

InChI: InChI=1S/C27H28FN3O3/c1-32-21-5-7-22(8-6-21)34-23-9-10-24-25(12-15-31-26(24)17-23)30-14-3-13-29-18-19-16-20(28)4-11-27(19)33-2/h4-12,15-17,29H,3,13-14,18H2,1-2H3,(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
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization