Molecule ID: mol7057

SMILES: CCOC(=O)c1cnc(S)nc1N

InChI: InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.60 IUPAC digitized pKa 1 » 0
7.58 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization