Molecule ID: mol17904

SMILES: O=c1[nH]ccc(N[C@H]2CC[C@@H](NCC(F)(F)F)CC2)c1-c1nc2ccccc2[nH]1

InChI: InChI=1S/C20H22F3N5O/c21-20(22,23)11-25-12-5-7-13(8-6-12)26-16-9-10-24-19(29)17(16)18-27-14-3-1-2-4-15(14)28-18/h1-4,9-10,12-13,25H,5-8,11H2,(H,27,28)(H2,24,26,29)/t12-,13+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.80 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization