Molecule ID: mol4150

SMILES: CSc1ncc(N)c(N)n1

InChI: InChI=1S/C5H8N4S/c1-10-5-8-2-3(6)4(7)9-5/h2H,6H2,1H3,(H2,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization