Molecule ID: mol18478

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

InChI: InChI=1S/C19H21ClF3N3O3/c1-3-4-5-15-25-17(20)14(10-16(27)29-2)26(15)11-12-6-8-13(9-7-12)24-18(28)19(21,22)23/h6-9H,3-5,10-11H2,1-2H3,(H,24,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization