Molecule ID: mol25161

SMILES: N#Cc1cccc[n+]1O

InChI: InChI=1S/C6H5N2O/c7-5-6-3-1-2-4-8(6)9/h1-4,9H/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.08 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization