Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID301005206

Structure

InChI Key FLQXWQNUQVUSNB-UHFFFAOYSA-N
Smiles O=C(Cl)C(Cl)C(=O)CCl
InChI
InChI=1/C4H3Cl3O2/c5-1-2(8)3(6)4(7)9/h3H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3Cl3O2
Molecular Weight 187.92
AlogP 1.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 34.14
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 84912-10-7
NORMAN SUSDAT
PubChem 3020217