Molecule ID: mol35586

SMILES: Cc1ccc(O)c2[n+]1CC(C(=O)O)S2

InChI: InChI=1S/C9H9NO3S/c1-5-2-3-6(11)8-10(5)4-7(14-8)9(12)13/h2-3,7H,4H2,1H3,(H-,11,12,13)/p+1

Experimental Macro pKa Values

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