Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8S17V1MYAY
EPA CompTox DTXSID401030921

Structure

InChI Key YQWCIPIEEBVRNY-UHFFFAOYSA-N
Smiles OC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
InChI
InChI=1S/C10H6Cl6O/c11-6-7(12)9(14)5-3(1-2-4(5)17)8(6,13)10(9,15)16/h1-5,17H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H6Cl6O1
Molecular Weight 351.85
AlogP 4.0
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 24009-05-0
NORMAN SUSDAT
FDA SRS 8S17V1MYAY
PubChem 25552
ChemSpider 23829.0