Molecule ID: mol21847

SMILES: OCC1OC(n2cnc3c2N=CNCC3O)CC1O

InChI: InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.20 Organic Oxygen Acids and Nitrogen Bases 1 » 0
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Charge States and Microspecies Visualization