Molecule ID: mol16332

SMILES: COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(N)=O)c3ccccc3)c2=O)c1F

InChI: InChI=1S/C31H29F5N4O4/c1-44-26-13-5-10-20(28(26)33)21-16-39(17-22-23(31(34,35)36)11-6-12-24(22)32)30(43)40(29(21)42)18-25(19-8-3-2-4-9-19)38-15-7-14-27(37)41/h2-6,8-13,16,25,38H,7,14-15,17-18H2,1H3,(H2,37,41)/t25-/m0/s1

Experimental Macro pKa Values

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