Molecule ID: mol2337

SMILES: COC(=O)C[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C11H11NO6/c1-18-10(13)6-9(11(14)15)7-2-4-8(5-3-7)12(16)17/h2-5,9H,6H2,1H3,(H,14,15)/t9-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.69 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization