Molecule ID: mol4099

SMILES: CNc1cc(N)ncn1

InChI: InChI=1S/C5H8N4/c1-7-5-2-4(6)8-3-9-5/h2-3H,1H3,(H3,6,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization