Molecule ID: mol36489

SMILES: N#CC1C=CN(Cc2ccc(F)cc2)C=C1C(N)=O

InChI: InChI=1S/C14H12FN3O/c15-12-3-1-10(2-4-12)8-18-6-5-11(7-16)13(9-18)14(17)19/h1-6,9,11H,8H2,(H2,17,19)

Experimental Macro pKa Values

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