Molecule ID: mol15523

SMILES: OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@@H](O)[C@H]1O

InChI: InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m0/s1

Experimental Macro pKa Values

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