Molecule ID: mol36376

SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1S

InChI: InChI=1S/C7H5NO4S/c9-7(10)5-3-4(8(11)12)1-2-6(5)13/h1-3,13H,(H,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.95 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization