Molecule ID: mol24919

SMILES: O=C(O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O

InChI: InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)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
10.80 QSARToolbox -1 » -2
10.93 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization