Molecule ID: mol29613

SMILES: Nc1nc(O)cc[n+]1C1OC(CO)C2OC21

InChI: InChI=1S/C9H11N3O4/c10-9-11-5(14)1-2-12(9)8-7-6(16-7)4(3-13)15-8/h1-2,4,6-8,13H,3H2,(H2,10,11,14)/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.20 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization