Molecule ID: mol37062

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OCc2ccccc2)c1OC

InChI: InChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(18(16)26-2)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24)

Experimental Macro pKa Values

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