Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70222252

Structure

InChI Key ZIOAZUXFQCBCKA-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)C(=O)OCCc1ccccc1
InChI
InChI=1S/C10H9Cl3O2/c11-10(12,13)9(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9Cl3O2
Molecular Weight 265.97
AlogP 3.14
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 71965-07-6
NORMAN SUSDAT
PubChem 94874
ChemSpider 85601.0