Molecule ID: mol36921

SMILES: [O-][N+](O)=CC(SCCO)c1ccccc1

InChI: InChI=1S/C10H13NO3S/c12-6-7-15-10(8-11(13)14)9-4-2-1-3-5-9/h1-5,8,10,12H,6-7H2,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization