Molecule ID: mol36491

SMILES: N#Cc1cccc(CN2C=CC(C#N)C(C(N)=O)=C2)c1

InChI: InChI=1S/C15H12N4O/c16-7-11-2-1-3-12(6-11)9-19-5-4-13(8-17)14(10-19)15(18)20/h1-6,10,13H,9H2,(H2,18,20)

Experimental Macro pKa Values

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