Molecule ID: mol36524

SMILES: CNC(=O)C1=C(C(=O)O)CCC1

InChI: InChI=1S/C8H11NO3/c1-9-7(10)5-3-2-4-6(5)8(11)12/h2-4H2,1H3,(H,9,10)(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization