Molecule ID: mol34406

SMILES: COc1ccc(O)c(CN(CC(=O)O)CC(=O)O)c1

InChI: InChI=1S/C12H15NO6/c1-19-9-2-3-10(14)8(4-9)5-13(6-11(15)16)7-12(17)18/h2-4,14H,5-7H2,1H3,(H,15,16)(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.50 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization