Molecule ID: mol16968

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CC[C@@H](OCC2CCCCC2)CN1

InChI: InChI=1S/C23H34F2N2O3/c1-15(28)27-22(11-17-9-18(24)12-19(25)10-17)23(29)21-8-7-20(13-26-21)30-14-16-5-3-2-4-6-16/h9-10,12,16,20-23,26,29H,2-8,11,13-14H2,1H3,(H,27,28)/t20-,21-,22+,23-/m1/s1

Experimental Macro pKa Values

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