Molecule ID: mol25262

SMILES: O=C(O)C1=NCC=C1

InChI: InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-2H,3H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization