Molecule ID: mol11589

SMILES: CC(=O)NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O

InChI: InChI=1S/C11H12N2O6/c1-6(14)12-8(11(16)17)4-7-2-3-10(15)9(5-7)13(18)19/h2-3,5,8,15H,4H2,1H3,(H,12,14)(H,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.00 IUPAC digitized pKa -1 » -2
7.00 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization