Molecule ID: mol36004

SMILES: O=C(O)CC(N=Cc1ccccc1O)C(=O)O

InChI: InChI=1S/C11H11NO5/c13-9-4-2-1-3-7(9)6-12-8(11(16)17)5-10(14)15/h1-4,6,8,13H,5H2,(H,14,15)(H,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.92 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization