Molecule ID: mol6372

SMILES: Nc1cnccc1S

InChI: InChI=1S/C5H6N2S/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.60 QSARToolbox 1 » 0
9.20 OCHEM 0 » -1
9.20 OCHEM 0 » -1
9.22 IUPAC digitized pKa 0 » -1
9.22 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization