Molecule ID: mol30883

SMILES: O=C(O)c1cc(/N=N/c2cccc([N+](=O)[O-])c2)ccc1O

InChI: InChI=1S/C13H9N3O5/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21/h1-7,17H,(H,18,19)/b15-14+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.65 QSARToolbox -1 » -2
11.09 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization