Molecule ID: mol8270

SMILES: CSc1nc2cncnc2n1Cc1ccccc1

InChI: InChI=1S/C13H12N4S/c1-18-13-16-11-7-14-9-15-12(11)17(13)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization