Molecule ID: mol16935

SMILES: COc1cccc(CNCCCNc2ccnc3cc(CC4CCCCC4)ccc23)c1O

InChI: InChI=1S/C27H35N3O2/c1-32-26-10-5-9-22(27(26)31)19-28-14-6-15-29-24-13-16-30-25-18-21(11-12-23(24)25)17-20-7-3-2-4-8-20/h5,9-13,16,18,20,28,31H,2-4,6-8,14-15,17,19H2,1H3,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization