Molecule ID: mol7099

SMILES: CNc1c(C)nc(SC)nc1N

InChI: InChI=1S/C7H12N4S/c1-4-5(9-2)6(8)11-7(10-4)12-3/h9H,1-3H3,(H2,8,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization