Molecule ID: mol36523

SMILES: CNC(=O)C1=C(C(=O)O)CC1

InChI: InChI=1S/C7H9NO3/c1-8-6(9)4-2-3-5(4)7(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization