Molecule ID: mol4969

SMILES: CNc1ncnc2scnc12

InChI: InChI=1S/C6H6N4S/c1-7-5-4-6(9-2-8-5)11-3-10-4/h2-3H,1H3,(H,7,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization