Molecule ID: mol12360

SMILES: Cc1nccnc1C

InChI: InChI=1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.17 Datawarrior 2 » 1
2.24 Datawarrior 1 » 0
2.24 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization