Molecule ID: mol16911

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc(F)cc4Cl)ccc23)c1O

InChI: InChI=1S/C27H27ClFN3O2/c1-34-26-5-2-4-20(27(26)33)17-30-11-3-12-31-24-10-13-32-25-15-18(6-9-22(24)25)14-19-7-8-21(29)16-23(19)28/h2,4-10,13,15-16,30,33H,3,11-12,14,17H2,1H3,(H,31,32)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization