Molecule ID: mol36380

SMILES: O=C(O)c1cc2ccc1CCc1ccc(c(Br)c1)CC2

InChI: InChI=1S/C17H15BrO2/c18-16-10-12-2-6-13-5-1-11(9-15(13)17(19)20)3-7-14(16)8-4-12/h1,4-5,8-10H,2-3,6-7H2,(H,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.28 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization