Molecule ID: mol23567

SMILES: CC(=O)N(c1ccccc1C)C(C)(C)C(=O)O

InChI: InChI=1S/C13H17NO3/c1-9-7-5-6-8-11(9)14(10(2)15)13(3,4)12(16)17/h5-8H,1-4H3,(H,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.68 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization