Molecule ID: mol32267

SMILES: Nn1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1=O

InChI: InChI=1S/C9H13N3O6/c10-12-2-1-11(7(16)8(12)17)9-6(15)5(14)4(3-13)18-9/h1-2,4-6,9,13-15H,3,10H2/t4-,5-,6-,9-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.80 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization