Molecule ID: mol33899

SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

InChI: InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
13.53 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization