Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60956115

Structure

InChI Key JAPULIJSISIKSZ-UHFFFAOYSA-N
Smiles O=C1OC(CCCC)CC1(Cl)Cl
InChI
InChI=1/C8H12Cl2O2/c1-2-3-4-6-5-8(9,10)7(11)12-6/h6H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H12Cl2O2
Molecular Weight 210.02
AlogP 2.67
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 34619-37-9
NORMAN SUSDAT
PubChem 3015696