Molecule ID: mol33922

SMILES: Nc1ncc(Cc2ccc3c(c2)OCO3)c(N)n1

InChI: InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16)

Experimental Macro pKa Values

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