Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2071360

Structure

InChI Key MANRPJCKLHWREF-UHFFFAOYSA-N
Smiles O=C(Cl)C=1C=C(C(=O)Cl)C(C(=O)Cl)=C(C1)C(=O)Cl
InChI
InChI=1/C10H2Cl4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)5(2-3)9(13)17/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H2Cl4O4
Molecular Weight 325.87
AlogP 3.2
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 68.28
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 68259-17-6
NORMAN SUSDAT
PubChem 109953