Molecule ID: mol11121

SMILES: CCOP(=O)(O)COc1cc(Cl)c(Cl)cc1Cl

InChI: InChI=1S/C9H10Cl3O4P/c1-2-16-17(13,14)5-15-9-4-7(11)6(10)3-8(9)12/h3-4H,2,5H2,1H3,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization