Molecule ID: mol35110

SMILES: C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC(F)(F)F

InChI: InChI=1S/C16H20F3NO/c1-10-14-7-11-3-4-12(21)8-13(11)15(10,2)5-6-20(14)9-16(17,18)19/h3-4,8,10,14,21H,5-7,9H2,1-2H3/t10-,14+,15+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.56 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization