Molecule ID: mol31520

SMILES: O/N=C1/C=CC=C/C1=N/O

InChI: InChI=1S/C6H6N2O2/c9-7-5-3-1-2-4-6(5)8-10/h1-4,9-10H/b7-5-,8-6-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.93 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization