Molecule ID: mol30822

SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1

InChI: InChI=1S/C13H10N2O4/c16-12-7-1-9(2-8-12)13(17)14-10-3-5-11(6-4-10)15(18)19/h1-8,16H,(H,14,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization