Molecule ID: mol30724

SMILES: Oc1ccc(/N=N/c2ccccc2O)c(O)c1

InChI: InChI=1S/C12H10N2O3/c15-8-5-6-10(12(17)7-8)14-13-9-3-1-2-4-11(9)16/h1-7,15-17H/b14-13+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.19 AttenGpKa training set 2 » 1
6.08 AttenGpKa training set 0 » -1
10.76 AttenGpKa training set -2 » -3
15.09 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization