Molecule ID: mol16951

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3ccc(F)cc3Cl)ccc12

InChI: InChI=1S/C27H26ClF2N3O/c1-34-27-8-6-21(29)15-20(27)17-31-10-2-11-32-25-9-12-33-26-14-18(3-7-23(25)26)13-19-4-5-22(30)16-24(19)28/h3-9,12,14-16,31H,2,10-11,13,17H2,1H3,(H,32,33)

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