Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20201916

Structure

InChI Key LYUNTJUPGQYMJD-UHFFFAOYSA-N
Smiles Clc1cc(OP(=O)(Cl)Cl)c(Cl)cc1
InChI
InChI=1S/C6H3Cl4O2P/c7-4-1-2-5(8)6(3-4)12-13(9,10)11/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl4O2P1
Molecular Weight 277.86
AlogP 4.96
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 53676-18-9
NORMAN SUSDAT
PubChem 104561
ChemSpider 94130.0