Molecule ID: mol21265

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

InChI: InChI=1S/C13H13F4N3O/c1-12(18,7-14)11-19-6-10(20-11)8-2-4-9(5-3-8)21-13(15,16)17/h2-6H,7,18H2,1H3,(H,19,20)/t12-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization