Molecule ID: mol8322

SMILES: CNc1nc(SC)nc2c1ncn2C

InChI: InChI=1S/C8H11N5S/c1-9-6-5-7(13(2)4-10-5)12-8(11-6)14-3/h4H,1-3H3,(H,9,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization