Molecule ID: mol9904

SMILES: Cn1nnc2[nH]c(S(C)(=O)=O)nc(=O)c21

InChI: InChI=1S/C6H7N5O3S/c1-11-3-4(9-10-11)7-6(8-5(3)12)15(2,13)14/h1-2H3,(H,7,8,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization