Molecule ID: mol36708

SMILES: N#Cc1ccc(C2=NN(c3ccccc3)C(c3ccc(C(=O)O)cc3)C2)cc1

InChI: InChI=1S/C23H17N3O2/c24-15-16-6-8-17(9-7-16)21-14-22(18-10-12-19(13-11-18)23(27)28)26(25-21)20-4-2-1-3-5-20/h1-13,22H,14H2,(H,27,28)

Experimental Macro pKa Values

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