Molecule ID: mol18822

SMILES: C[C@@H](O[C@H]1CC[C@@H](N(C)Cc2n[nH]c(O)n2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChI: InChI=1S/C25H25F7N4O2/c1-13(15-9-16(24(27,28)29)11-17(10-15)25(30,31)32)38-20-8-7-19(22(20)14-3-5-18(26)6-4-14)36(2)12-21-33-23(37)35-34-21/h3-6,9-11,13,19-20,22H,7-8,12H2,1-2H3,(H2,33,34,35,37)/t13-,19-,20+,22+/m1/s1

Experimental Macro pKa Values

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