Molecule ID: mol6968

SMILES: CNc1ccc(S)nn1

InChI: InChI=1S/C5H7N3S/c1-6-4-2-3-5(9)8-7-4/h2-3H,1H3,(H,6,7)(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.04 IUPAC digitized pKa 1 » 0
9.46 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization