Molecule ID: mol16161

SMILES: CCc1[nH]c2cc(F)ccc2c1C1CCN(CCCSc2ccc(F)cc2)CC1

InChI: InChI=1S/C24H28F2N2S/c1-2-22-24(21-9-6-19(26)16-23(21)27-22)17-10-13-28(14-11-17)12-3-15-29-20-7-4-18(25)5-8-20/h4-9,16-17,27H,2-3,10-15H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.80 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization