Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q0NW22304K
EPA CompTox DTXSID5052707

Structure

InChI Key GIUKJJMBQBRFTN-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C2(Cl)C3C(COC3=O)C1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H4Cl6O2
Molecular Weight 353.83
AlogP 3.62
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 3868-61-9
NORMAN SUSDAT
FDA SRS Q0NW22304K
PubChem 145710
ChemSpider 52085534.0