Molecule ID: mol18480

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1

InChI: InChI=1S/C18H21ClF3N3O4S/c1-3-4-5-15-23-17(19)14(10-16(26)29-2)25(15)11-12-6-8-13(9-7-12)24-30(27,28)18(20,21)22/h6-9,24H,3-5,10-11H2,1-2H3

Experimental Macro pKa Values

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