Molecule ID: mol6880

SMILES: Cc1ccnn1C

InChI: InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.89 IUPAC digitized pKa 1 » 0
2.89 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization