Molecule ID: mol23504

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

InChI: InChI=1S/C12H15NO3/c1-3-11(12(15)16)13(9(2)14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization