Molecule ID: mol16903

SMILES: c1coc(CNCCCNc2ccnc3cc(-c4cccc5ccccc45)ccc23)c1

InChI: InChI=1S/C27H25N3O/c1-2-9-23-20(6-1)7-3-10-24(23)21-11-12-25-26(13-16-30-27(25)18-21)29-15-5-14-28-19-22-8-4-17-31-22/h1-4,6-13,16-18,28H,5,14-15,19H2,(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