Molecule ID: mol9271

SMILES: Cn1c(=O)cn[nH]c1=S

InChI: InChI=1S/C4H5N3OS/c1-7-3(8)2-5-6-4(7)9/h2H,1H3,(H,6,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization