Molecule ID: mol9282

SMILES: NC1=NC(C(=O)O)CS1

InChI: InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization