Molecule ID: mol22835

SMILES: COC(=O)c1ccc(C(=O)O)c(N)c1

InChI: InChI=1S/C9H9NO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,10H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization