Molecule ID: mol26069

SMILES: ONc1cccc2c1ccc[n+]2O

InChI: InChI=1S/C9H8N2O2/c12-10-8-4-1-5-9-7(8)3-2-6-11(9)13/h1-6,12-13H/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization