Molecule ID: mol16869

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Oc4ccc(F)cc4)ccc23)c1O

InChI: InChI=1S/C26H26FN3O3/c1-32-25-5-2-4-18(26(25)31)17-28-13-3-14-29-23-12-15-30-24-16-21(10-11-22(23)24)33-20-8-6-19(27)7-9-20/h2,4-12,15-16,28,31H,3,13-14,17H2,1H3,(H,29,30)

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