Molecule ID: mol21266

SMILES: NC(CF)(CF)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1

InChI: InChI=1S/C13H12F5N3O/c14-6-12(19,7-15)11-20-5-10(21-11)8-1-3-9(4-2-8)22-13(16,17)18/h1-5H,6-7,19H2,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization