Molecule ID: mol7452

SMILES: CCSc1ccncn1

InChI: InChI=1S/C6H8N2S/c1-2-9-6-3-4-7-5-8-6/h3-5H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization