Molecule ID: mol36492

SMILES: N#CC1C=CN(Cc2ccccc2)C=C1C(N)=O

InChI: InChI=1S/C14H13N3O/c15-8-12-6-7-17(10-13(12)14(16)18)9-11-4-2-1-3-5-11/h1-7,10,12H,9H2,(H2,16,18)

Experimental Macro pKa Values

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