Molecule ID: mol20406

SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F

InChI: InChI=1S/C21H24ClFN4O4S/c1-2-30-18-9-13(3-4-16(18)23)12-27-7-5-14(6-8-27)25-21-26-17-10-15(22)20(32(24,28)29)11-19(17)31-21/h3-4,9-11,14H,2,5-8,12H2,1H3,(H,25,26)(H2,24,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization