Molecule ID: mol36112

SMILES: O=C(O)CCN(CCC(=O)O)c1ccccc1

InChI: InChI=1S/C12H15NO4/c14-11(15)6-8-13(9-7-12(16)17)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.91 QSARToolbox 1 » 0
6.47 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization