Molecule ID: mol10335

SMILES: O=P(O)(O)COc1c(Cl)cccc1Cl

InChI: InChI=1S/C7H7Cl2O4P/c8-5-2-1-3-6(9)7(5)13-4-14(10,11)12/h1-3H,4H2,(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization