Molecule ID: mol18823

SMILES: C[C@@H](O[C@H]1CC[C@@H](N(C)Cc2c[nH]c(O)n2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChI: InChI=1S/C26H26F7N3O2/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)38-22-8-7-21(23(22)15-3-5-19(27)6-4-15)36(2)13-20-12-34-24(37)35-20/h3-6,9-12,14,21-23H,7-8,13H2,1-2H3,(H2,34,35,37)/t14-,21-,22+,23+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.20 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization