Molecule ID: mol16067

SMILES: COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1

InChI: InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1

Experimental Macro pKa Values

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