Molecule ID: mol16300

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(CC(C)(C)C)cc21

InChI: InChI=1S/C27H36F2N2O2/c1-17(32)31-25(13-19-10-21(28)14-22(29)11-19)26(33)16-30-24-7-5-6-20-9-8-18(12-23(20)24)15-27(2,3)4/h8-12,14,24-26,30,33H,5-7,13,15-16H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1

Experimental Macro pKa Values

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