Molecule ID: mol29054

SMILES: CC(CC(C)(C)C)CP(=S)(S)CC(C)CC(C)(C)C

InChI: InChI=1S/C16H35PS2/c1-13(9-15(3,4)5)11-17(18,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.16 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization