Molecule ID: mol35693

SMILES: Cc1ccc(N(CCC(=O)O)CCC(=O)O)cc1C

InChI: InChI=1S/C14H19NO4/c1-10-3-4-12(9-11(10)2)15(7-5-13(16)17)8-6-14(18)19/h3-4,9H,5-8H2,1-2H3,(H,16,17)(H,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization