Molecule ID: mol16936

SMILES: c1coc(CNCCCNc2ccnc3cc(CC4CCCCC4)ccc23)c1

InChI: InChI=1S/C24H31N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h4,8-11,14-15,17,19,25H,1-3,5-7,12-13,16,18H2,(H,26,27)

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