Molecule ID: mol17382

SMILES: CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)cn3)cc2C1

InChI: InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-12-3-4-13(7-14(12)9-16)17-6-5-15(18)10-19-17/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization