Molecule ID: mol36383

SMILES: O=C1C[S+]([O-])[C@]2(CCOc3ccc(F)cc32)C1

InChI: InChI=1S/C12H11FO3S/c13-8-1-2-11-10(5-8)12(3-4-16-11)6-9(14)7-17(12)15/h1-2,5H,3-4,6-7H2/t12-,17?/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.60 QSARToolbox 0 » -1
7.25 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization