Molecule ID: mol36394

SMILES: CN(C)c1ccc(C(C=[N+]([O-])O)SCCO)cc1

InChI: InChI=1S/C12H18N2O3S/c1-13(2)11-5-3-10(4-6-11)12(9-14(16)17)18-8-7-15/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)

Experimental Macro pKa Values

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