Molecule ID: mol25772

SMILES: CC(=O)OCc1nccnc1N

InChI: InChI=1S/C7H9N3O2/c1-5(11)12-4-6-7(8)10-3-2-9-6/h2-3H,4H2,1H3,(H2,8,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization