Molecule ID: mol23201

SMILES: COC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1C(=O)O

InChI: InChI=1S/C11H11NO8/c1-18-6-4-5(12(16)17)7(11(15)20-3)8(10(13)14)9(6)19-2/h4H,1-3H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization