Molecule ID: mol3023

SMILES: O=c1[nH]c2c(Cc3nn[nH]n3)c3ccccc3n2c2ccccc12

InChI: InChI=1S/C17H12N6O/c24-17-11-6-2-4-8-14(11)23-13-7-3-1-5-10(13)12(16(23)18-17)9-15-19-21-22-20-15/h1-8H,9H2,(H,18,24)(H,19,20,21,22)

Experimental Macro pKa Values

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