Molecule ID: mol9889

SMILES: Cn1cc2[nH]c(S)nc2nc1=O

InChI: InChI=1S/C6H6N4OS/c1-10-2-3-4(9-6(10)11)8-5(12)7-3/h2H,1H3,(H2,7,8,9,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization