Molecule ID: mol36422

SMILES: CN(CC(=O)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccc(Br)cc1

InChI: InChI=1S/C25H18BrNO3/c1-27(18-13-11-17(26)12-14-18)15-21(28)23-22(16-7-3-2-4-8-16)24(29)19-9-5-6-10-20(19)25(23)30/h2-14H,15H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.20 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization