Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8N0LX6A687
EPA CompTox DTXSID0044575

Structure

InChI Key QWWHRELOCZEQNZ-UHFFFAOYSA-N
Smiles ClC(Cl)C(=O)N1CCOC11CCCCC1
InChI
InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15Cl2N1O2
Molecular Weight 251.05
AlogP 2.31
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.54
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 71526-07-3
NORMAN SUSDAT
FDA SRS 8N0LX6A687
PubChem 3482402
ChemSpider 2723293.0