Molecule ID: mol16926

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3cc(C)cc(C)c3)ccc12

InChI: InChI=1S/C29H32FN3O/c1-20-13-21(2)15-23(14-20)16-22-5-7-26-27(9-12-33-28(26)17-22)32-11-4-10-31-19-24-18-25(30)6-8-29(24)34-3/h5-9,12-15,17-18,31H,4,10-11,16,19H2,1-3H3,(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