Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00984210

Structure

InChI Key WDKOEMMQZYRXJH-UHFFFAOYSA-N
Smiles ClCC(O)OC
InChI
InChI=1/C3H7ClO2/c1-6-3(5)2-4/h3,5H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7ClO2
Molecular Weight 110.01
AlogP 0.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.46
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 65652-26-8
NORMAN SUSDAT
PubChem 3017616