Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30945495

Structure

InChI Key HTKBDJGWQFLSFU-UHFFFAOYSA-N
Smiles ClC1(Cl)C2CC3C(CC21C)C3(C)C
InChI
InChI=1/C11H16Cl2/c1-9(2)6-4-8-10(3,5-7(6)9)11(8,12)13/h6-8H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16Cl2
Molecular Weight 218.06
AlogP 3.86
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 22819-70-1
NORMAN SUSDAT
PubChem 90845