Molecule ID: mol30685

SMILES: Oc1ccc(/N=N/c2ccccn2)c(O)c1

InChI: InChI=1S/C11H9N3O2/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h1-7,15-16H/b14-13+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.76 QSARToolbox 1 » 0
2.76 QSARToolbox 1 » 0
3.07 AttenGpKa training set 1 » 0
5.41 QSARToolbox 1 » 0
5.41 QSARToolbox 1 » 0
5.50 AttenGpKa training set 1 » 0
12.04 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization