Molecule ID: mol4968

SMILES: Cc1nc(N)c2ncsc2n1

InChI: InChI=1S/C6H6N4S/c1-3-9-5(7)4-6(10-3)11-2-8-4/h2H,1H3,(H2,7,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.54 IUPAC digitized pKa 1 » 0
4.56 OCHEM 1 » 0
4.56 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization