Molecule ID: mol7379

SMILES: Oc1cc(O)nc(S)n1

InChI: InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-6.71 QSARToolbox 2 » 1
-4.39 QSARToolbox 2 » 1
3.70 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization