Molecule ID: mol4163

SMILES: Cn1cccnc1=O

InChI: InChI=1S/C5H6N2O/c1-7-4-2-3-6-5(7)8/h2-4H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.45 IUPAC digitized pKa 1 » 0
2.50 Datawarrior 1 » 0
2.50 OCHEM 1 » 0
2.50 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization