Molecule ID: mol20394

SMILES: CCCCCS(=O)(=O)NC(=O)CCc1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl

InChI: InChI=1S/C23H28ClF3N2O6S/c1-3-4-5-12-36(31,32)29-21(30)9-7-16-6-8-18(34-11-10-33-2)14-20(16)35-22-19(24)13-17(15-28-22)23(25,26)27/h6,8,13-15H,3-5,7,9-12H2,1-2H3,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.60 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization