Molecule ID: mol18366

SMILES: COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1

InChI: InChI=1S/C20H21ClF3N3O3/c1-29-17-3-2-13(21)8-16(17)27-18-9-15(20(22,23)24)14(11-25-18)19(28)26-10-12-4-6-30-7-5-12/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,25,27)(H,26,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization