Molecule ID: mol23505

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization