Molecule ID: mol32402

SMILES: NCCC=CC(=O)O

InChI: InChI=1S/C5H9NO2/c6-4-2-1-3-5(7)8/h1,3H,2,4,6H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization