Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90958985

Structure

InChI Key BSVMPWANOMFSPR-UHFFFAOYSA-N
Smiles O=C(Cl)CI
InChI
InChI=1/C2H2ClIO/c3-2(5)1-4/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2ClIO
Molecular Weight 203.88
AlogP 1.19
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 38020-81-4
NORMAN SUSDAT
PubChem 3084680