Molecule ID: mol23170

SMILES: COc1cc([N+](=O)[O-])c([N+](=O)[O-])c(C(=O)O)c1OC

InChI: InChI=1S/C9H8N2O8/c1-18-5-3-4(10(14)15)7(11(16)17)6(9(12)13)8(5)19-2/h3H,1-2H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization