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

Structure

InChI Key OWGMMEAKLCGGTM-KTKRTIGZSA-N
Smiles O=C(OC=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1Cl)CCCCCCCC=CCCCCCCCC
InChI
InChI=1/C24H33Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(30)31-24-22(28)20(26)19(25)21(27)23(24)29/h9-10H,2-8,11-17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33Cl5O2
Molecular Weight 528.09
AlogP 10.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 26.3
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 10443-46-6
NORMAN SUSDAT
PubChem 6437732