Molecule ID: mol16913

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc(F)cc4)ccc23)c1O

InChI: InChI=1S/C27H28FN3O2/c1-33-26-5-2-4-21(27(26)32)18-29-13-3-14-30-24-12-15-31-25-17-20(8-11-23(24)25)16-19-6-9-22(28)10-7-19/h2,4-12,15,17,29,32H,3,13-14,16,18H2,1H3,(H,30,31)

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