Molecule ID: mol36930

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(-c3nnn[nH]3)cn21

InChI: InChI=1S/C9H12N6O4/c16-2-4-5(17)6(18)7(19)9-10-3(1-15(4)9)8-11-13-14-12-8/h1,4-7,16-19H,2H2,(H,11,12,13,14)/t4-,5-,6+,7+/m1/s1

Experimental Macro pKa Values

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