Molecule ID: mol7100

SMILES: CNc1nc(C)nc(SC)c1N

InChI: InChI=1S/C7H12N4S/c1-4-10-6(9-2)5(8)7(11-4)12-3/h8H2,1-3H3,(H,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization