Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 010IDO6ICK

Structure

InChI Key WQZLBRKHBCTDOZ-UHFFFAOYSA-N
Smiles CCCCCCCC[S](=O)CCCCl
InChI
InChI=1S/C11H23ClOS/c1-2-3-4-5-6-7-10-14(13)11-8-9-12/h2-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23Cl1O1S1
Molecular Weight 238.12
AlogP 3.72
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3569-57-1
NORMAN SUSDAT
FDA SRS 010IDO6ICK