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

Structure

InChI Key LKTUREQAKIQUHO-UHFFFAOYSA-N
Smiles CC(O)(CC(Cl)(Cl)Cl)c1cc(Cl)cc(Cl)c1
InChI
InChI=1S/C10H9Cl5O/c1-9(16,5-10(13,14)15)6-2-7(11)4-8(12)3-6/h2-4,16H,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9Cl5O1
Molecular Weight 319.91
AlogP 4.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT