Molecule ID: mol18888

SMILES: COCC1(C)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21

InChI: InChI=1S/C20H20FNO4S/c1-20(12-25-2)19-17(8-9-22-20)16-7-6-15(11-18(16)26-19)27(23,24)14-5-3-4-13(21)10-14/h3-7,10-11,22H,8-9,12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization