Molecule ID: mol37629

SMILES: CC(C)[C@@H](C(=O)O)[S+]([O-])[C@H](C(=O)O)C(C)C

InChI: InChI=1S/C10H18O5S/c1-5(2)7(9(11)12)16(15)8(6(3)4)10(13)14/h5-8H,1-4H3,(H,11,12)(H,13,14)/t7-,8-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization