Molecule ID: mol21267

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

InChI: InChI=1S/C14H16F3N3O2/c1-13(18,8-21-2)12-19-7-11(20-12)9-3-5-10(6-4-9)22-14(15,16)17/h3-7H,8,18H2,1-2H3,(H,19,20)/t13-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.10 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization