Molecule ID: mol26070

SMILES: ONc1ccc2c(ccc[n+]2O)c1

InChI: InChI=1S/C9H9N2O2/c12-10-8-3-4-9-7(6-8)2-1-5-11(9)13/h1-6,10,12-13H/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization