Molecule ID: mol9481

SMILES: O=C(O)c1ccc([N+](=O)[O-])s1

InChI: InChI=1S/C5H3NO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.68 IUPAC digitized pKa 0 » -1
2.68 Datawarrior 0 » -1
2.68 OCHEM 0 » -1
2.68 QSARToolbox 0 » -1
2.68 QSARToolbox 0 » -1
2.68 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization