Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2C0677Q3B2
EPA CompTox DTXSID00865631

Structure

InChI Key UCPYLLCMEDAXFR-UHFFFAOYSA-N
Smiles O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
InChI
InChI=1/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Cl6O3
Molecular Weight 293.8
AlogP 3.8
Hydrogen Bond Acceptor 3.0
Polar Surface Area 35.53
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 32315-10-9
NORMAN SUSDAT
FDA SRS 2C0677Q3B2
PubChem 94429