Molecule ID: mol34148

SMILES: CC1(C)CCCC(S(C)(=O)=O)C1=O

InChI: InChI=1S/C9H16O3S/c1-9(2)6-4-5-7(8(9)10)13(3,11)12/h7H,4-6H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization