Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5P245C48WP
EPA CompTox DTXSID8058958

Structure

InChI Key STOSPPMGXZPHKP-UHFFFAOYSA-N
Smiles Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl4O2
Molecular Weight 245.88
AlogP 3.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 87-87-6
NORMAN SUSDAT
FDA SRS 5P245C48WP
PubChem 66603
ChemSpider 59970.0