Molecule ID: mol16970

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC2CCCCC2)[C@H](C)N1

InChI: InChI=1S/C23H34F2N2O4/c1-14-23(30-12-16-6-4-3-5-7-16)31-13-21(26-14)22(29)20(27-15(2)28)10-17-8-18(24)11-19(25)9-17/h8-9,11,14,16,20-23,26,29H,3-7,10,12-13H2,1-2H3,(H,27,28)/t14-,20-,21+,22-,23+/m0/s1

Experimental Macro pKa Values

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