Molecule ID: mol12398

SMILES: C=Cc1cccnc1

InChI: InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization