Molecule ID: mol514

SMILES: O=C(O)COc1ccc(C(F)(F)F)cc1CN1CCN(C(=O)c2ccccc2)CC1

InChI: InChI=1S/C21H21F3N2O4/c22-21(23,24)17-6-7-18(30-14-19(27)28)16(12-17)13-25-8-10-26(11-9-25)20(29)15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.90 Hunt 0 » -1
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Charge States and Microspecies Visualization