Molecule ID: mol38537

SMILES: CC(=O)Nc1ccc(C2CC2C(=O)O)cc1

InChI: InChI=1S/C12H13NO3/c1-7(14)13-9-4-2-8(3-5-9)10-6-11(10)12(15)16/h2-5,10-11H,6H2,1H3,(H,13,14)(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization