Molecule ID: mol16949

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(CC3CCCCC3)ccc12

InChI: InChI=1S/C27H34FN3O/c1-32-27-11-9-23(28)18-22(27)19-29-13-5-14-30-25-12-15-31-26-17-21(8-10-24(25)26)16-20-6-3-2-4-7-20/h8-12,15,17-18,20,29H,2-7,13-14,16,19H2,1H3,(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