Molecule ID: mol19776

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

InChI: InChI=1S/C23H28BrNO2/c1-3-16-25(2)17-6-4-5-7-18-27-22-14-10-20(11-15-22)23(26)19-8-12-21(24)13-9-19/h3,8-15H,1,4-7,16-18H2,2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.18 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization