Molecule ID: mol4388

SMILES: O=S(=O)(O)c1cc(Cl)c(O)c2ncccc12

InChI: InChI=1S/C9H6ClNO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 IUPAC digitized pKa 0 » -1
2.91 IUPAC digitized pKa 0 » -1
2.92 OCHEM 0 » -1
2.92 OCHEM 0 » -1
6.80 IUPAC digitized pKa -1 » -2
6.91 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization