Molecule ID: mol36092

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

InChI: InChI=1S/C12H13NO5/c14-10-4-2-1-3-8(10)7-13-9(12(17)18)5-6-11(15)16/h1-4,7,9,14H,5-6H2,(H,15,16)(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization