Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID501007010

Structure

InChI Key UWFNCYWHUDMLAD-UHFFFAOYSA-N
Smiles ClC1=CC=C(C(Cl)=C1)C2OCC(O2)CCl
InChI
InChI=1/C10H9Cl3O2/c11-4-7-5-14-10(15-7)8-2-1-6(12)3-9(8)13/h1-3,7,10H,4-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9Cl3O2
Molecular Weight 265.97
AlogP 3.65
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 86674-90-0
NORMAN SUSDAT
PubChem 11971026