Molecule ID: mol7297

SMILES: Nc1cc(S)nc(N)n1

InChI: InChI=1S/C4H6N4S/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.73 IUPAC digitized pKa 1 » 0
1.73 AttenGpKa training set 1 » 0
10.19 IUPAC digitized pKa 0 » -1
10.19 AttenGpKa training set 0 » -1
10.20 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization