Molecule ID: mol15350

SMILES: OC[C@@H]1O[C@H](n2ccc3c2ncn2ccnc32)[C@@H](O)[C@H]1O

InChI: InChI=1S/C13H14N4O4/c18-5-8-9(19)10(20)13(21-8)17-3-1-7-11-14-2-4-16(11)6-15-12(7)17/h1-4,6,8-10,13,18-20H,5H2/t8-,9-,10-,13-/m0/s1

Experimental Macro pKa Values

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