Molecule ID: mol16907

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Cc4cc(C)cc(C)c4)ccc23)c1O

InChI: InChI=1S/C29H33N3O2/c1-20-14-21(2)16-23(15-20)17-22-8-9-25-26(10-13-32-27(25)18-22)31-12-5-11-30-19-24-6-4-7-28(34-3)29(24)33/h4,6-10,13-16,18,30,33H,5,11-12,17,19H2,1-3H3,(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