Molecule ID: mol4149

SMILES: CSc1cc(N)nc(N)n1

InChI: InChI=1S/C5H8N4S/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H4,6,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization