Molecule ID: mol19610

SMILES: O=C(CN1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1)Nc1nccs1

InChI: InChI=1S/C18H21F3N4O3S/c19-18(20,21)28-15-3-1-14(2-4-15)27-11-10-24-6-8-25(9-7-24)13-16(26)23-17-22-5-12-29-17/h1-5,12H,6-11,13H2,(H,22,23,26)

Experimental Macro pKa Values

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