Molecule ID: mol35835

SMILES: CCNc1ccccc1S(=O)(=O)O

InChI: InChI=1S/C8H11NO3S/c1-2-9-7-5-3-4-6-8(7)13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.63 QSARToolbox 0 » -1
2.76 QSARToolbox 0 » -1
2.92 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization