Molecule ID: mol20022

SMILES: CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1

InChI: InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30)

Experimental Macro pKa Values

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