Molecule ID: mol14975

SMILES: CNc1nc(O)[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C

InChI: InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)12-2)9-3-7(16)8(5-15)18-9/h4,7-9,15-16H,3,5H2,1-2H3,(H,12,13,17)/p+1/t7-,8+,9+/m1/s1

Experimental Macro pKa Values

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