Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AW835AJ62N
EPA CompTox DTXSID1021950

Structure

InChI Key KPWDGTGXUYRARH-UHFFFAOYSA-N
Smiles OCC(Cl)(Cl)Cl
InChI
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3Cl3O1
Molecular Weight 147.92
AlogP 1.35
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 115-20-8
NORMAN SUSDAT
FDA SRS AW835AJ62N
PubChem 8259
ChemSpider 7961.0