Molecule ID: mol10779

SMILES: CSc1nc2[nH]c(=O)cnc2c(=O)n1C

InChI: InChI=1S/C8H8N4O2S/c1-12-7(14)5-6(11-8(12)15-2)10-4(13)3-9-5/h3H,1-2H3,(H,10,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.47 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization