Molecule ID: mol19775

SMILES: CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1

InChI: InChI=1S/C23H28BrNO2/c1-25(21-12-13-21)16-4-2-3-5-17-27-22-14-8-19(9-15-22)23(26)18-6-10-20(24)11-7-18/h6-11,14-15,21H,2-5,12-13,16-17H2,1H3

Experimental Macro pKa Values

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