Molecule ID: mol10321

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

InChI: InChI=1S/C7H6Cl3O4P/c8-4-1-6(10)7(2-5(4)9)14-3-15(11,12)13/h1-2H,3H2,(H2,11,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.26 QSARToolbox 0 » -1
1.26 IUPAC digitized pKa 0 » -1
6.56 IUPAC digitized pKa -1 » -2
6.59 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization