Molecule ID: mol21268

SMILES: NC1(Cc2nc(-c3ccc(OC(F)(F)F)cc3)c[nH]2)COC1

InChI: InChI=1S/C14H14F3N3O2/c15-14(16,17)22-10-3-1-9(2-4-10)11-6-19-12(20-11)5-13(18)7-21-8-13/h1-4,6H,5,7-8,18H2,(H,19,20)

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