Molecule ID: mol23890

SMILES: CCC(=O)Nc1ccc(C(=O)CC)cc1

InChI: InChI=1S/C12H15NO2/c1-3-11(14)9-5-7-10(8-6-9)13-12(15)4-2/h5-8H,3-4H2,1-2H3,(H,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization