Molecule ID: mol21221

SMILES: O/N=C/c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1

InChI: InChI=1S/C18H18FNO2S/c19-16-9-15(14-5-7-22-8-6-14)10-18(11-16)23-17-3-1-13(2-4-17)12-20-21/h1-4,9-12,14,21H,5-8H2/b20-12+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization