Molecule ID: mol20402

SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC

InChI: InChI=1S/C22H27ClN4O5S/c1-3-31-20-10-14(4-5-18(20)30-2)13-27-8-6-15(7-9-27)25-22-26-17-11-16(23)21(33(24,28)29)12-19(17)32-22/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H,25,26)(H2,24,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization