Molecule ID: mol9635

SMILES: S=c1nc[nH]c2nccnc12

InChI: InChI=1S/C6H4N4S/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.81 OCHEM 0 » -1
6.81 QSARToolbox 0 » -1
6.81 IUPAC digitized pKa 0 » -1
6.81 Datawarrior 0 » -1
6.81 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization