Molecule ID: mol36636

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

InChI: InChI=1S/C8H7NO4S/c1-13-8(10)6-4-5(9(11)12)2-3-7(6)14/h2-4,14H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.74 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization