Molecule ID: mol31540

SMILES: O=C(/C=N/O)c1cccnc1

InChI: InChI=1S/C7H6N2O2/c10-7(5-9-11)6-2-1-3-8-4-6/h1-5,11H/b9-5+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization