Molecule ID: mol35583

SMILES: Cc1ccc(O)c(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1

InChI: InChI=1S/C14H12N2O6/c1-8-2-3-13(17)9(4-8)5-10-6-11(15(19)20)7-12(14(10)18)16(21)22/h2-4,6-7,17-18H,5H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization