Molecule ID: mol20145

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCOCC1

InChI: InChI=1S/C27H36F2N2O3/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(8-10-34-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30,33H,8-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/m0/s1

Experimental Macro pKa Values

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