Molecule ID: mol12392

SMILES: COc1cnc(N)s1

InChI: InChI=1S/C4H6N2OS/c1-7-3-2-6-4(5)8-3/h2H,1H3,(H2,5,6)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.98 Datawarrior 1 » 0
4.98 OCHEM 1 » 0
4.98 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization