Molecule ID: mol18367

SMILES: COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCC2)cn1

InChI: InChI=1S/C19H19ClF3N3O2/c1-28-16-6-5-12(20)7-15(16)26-17-8-14(19(21,22)23)13(10-24-17)18(27)25-9-11-3-2-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,24,26)(H,25,27)

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