Molecule ID: mol12377

SMILES: Cc1cc(N)ccn1

InChI: InChI=1S/C6H8N2/c1-5-4-6(7)2-3-8-5/h2-4H,1H3,(H2,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization