Molecule ID: mol33979

SMILES: COc1cc(Cc2cnc(N)nc2N)cc2c1OCO2

InChI: InChI=1S/C13H14N4O3/c1-18-9-3-7(4-10-11(9)20-6-19-10)2-8-5-16-13(15)17-12(8)14/h3-5H,2,6H2,1H3,(H4,14,15,16,17)

Experimental Macro pKa Values

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