Molecule ID: mol23458

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

InChI: InChI=1S/C11H13NO3/c1-8(11(14)15)12(9(2)13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization