Molecule ID: mol35106

SMILES: C[C@@H]1CN(c2c(F)c(F)c3c(c2F)C(C2CC2)C=C(C(=O)O)C3=O)C[C@H](C)N1

InChI: InChI=1S/C20H21F3N2O3/c1-8-6-25(7-9(2)24-8)18-16(22)13-11(10-3-4-10)5-12(20(27)28)19(26)14(13)15(21)17(18)23/h5,8-11,24H,3-4,6-7H2,1-2H3,(H,27,28)/t8-,9+,11?

Experimental Macro pKa Values

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