Molecule ID: mol10357

SMILES: CCOC(=O)c1c[nH]c(=S)[nH]c1=O

InChI: InChI=1S/C7H8N2O3S/c1-2-12-6(11)4-3-8-7(13)9-5(4)10/h3H,2H2,1H3,(H2,8,9,10,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization