Molecule ID: mol31296

SMILES: CC(O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C14H12N2O7/c1-14(17,22-12-6-2-10(3-7-12)15(18)19)23-13-8-4-11(5-9-13)16(20)21/h2-9,17H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization