Molecule ID: mol14930

SMILES: O=c1nc(O)c(Br)cn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

InChI: InChI=1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.90 Datawarrior 1 » 0
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Charge States and Microspecies Visualization