Molecule ID: mol16853

SMILES: COc1cccc(Oc2ccc3c(NCCCNCc4cc(F)ccc4OC)ccnc3c2)c1

InChI: InChI=1S/C27H28FN3O3/c1-32-21-5-3-6-22(16-21)34-23-8-9-24-25(11-14-31-26(24)17-23)30-13-4-12-29-18-19-15-20(28)7-10-27(19)33-2/h3,5-11,14-17,29H,4,12-13,18H2,1-2H3,(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