Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30987678

Structure

InChI Key LRFGHPBDYXVMQO-UHFFFAOYSA-N
Smiles O=C(Cl)CCCC(C(=O)Cl)(CC)CC
InChI
InChI=1/C10H16Cl2O2/c1-3-10(4-2,9(12)14)7-5-6-8(11)13/h3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16Cl2O2
Molecular Weight 238.05
AlogP 3.49
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 34.14
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 68171-35-7
NORMAN SUSDAT