Molecule ID: mol30806

SMILES: O=C1CCCc2cc([N+](=O)[O-])c([N+](=O)[O-])c(O)c21

InChI: InChI=1S/C10H8N2O6/c13-7-3-1-2-5-4-6(11(15)16)9(12(17)18)10(14)8(5)7/h4,14H,1-3H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization