Molecule ID: mol31536

SMILES: N#Cc1ccc(/C=N/O)cc1

InChI: InChI=1S/C8H6N2O/c9-5-7-1-3-8(4-2-7)6-10-11/h1-4,6,11H/b10-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization