Molecule ID: mol18365

SMILES: Cc1cc(Cl)ccc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1

InChI: InChI=1S/C20H21ClF3N3O2/c1-12-8-14(21)2-3-17(12)27-18-9-16(20(22,23)24)15(11-25-18)19(28)26-10-13-4-6-29-7-5-13/h2-3,8-9,11,13H,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