Molecule ID: mol3994

SMILES: CSc1cnccn1

InChI: InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.48 QSARToolbox 1 » 0
0.52 OCHEM 1 » 0
0.55 IUPAC digitized pKa 1 » 0
0.55 AttenGpKa training set 1 » 0
0.55 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization