Molecule ID: mol13589

SMILES: N#CCc1cccnc1

InChI: InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.49 QSARToolbox 1 » 0
3.78 Datawarrior 1 » 0
3.78 OCHEM 1 » 0
4.08 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization