Molecule ID: mol35563

SMILES: Cc1ccc(CN2C=CC(C#N)C(C(N)=O)=C2)cc1

InChI: InChI=1S/C15H15N3O/c1-11-2-4-12(5-3-11)9-18-7-6-13(8-16)14(10-18)15(17)19/h2-7,10,13H,9H2,1H3,(H2,17,19)

Experimental Macro pKa Values

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