Molecule ID: mol23029

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

InChI: InChI=1S/C11H11NO5/c1-6(13)12-9-5-7(11(16)17-2)3-4-8(9)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization