Molecule ID: mol29050

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

InChI: InChI=1S/C16H35OPS/c1-13(9-15(3,4)5)11-18(17,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization