Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 83T665YQ5E
EPA CompTox DTXSID20177369

Structure

InChI Key FYVXMHXMWHEEHI-UHFFFAOYSA-N
Smiles CN(C)C(=O)CCCCl
InChI
InChI=1S/C6H12ClNO/c1-8(2)6(9)4-3-5-7/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Cl1N1O1
Molecular Weight 149.06
AlogP 1.09
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 22813-58-7
NORMAN SUSDAT
FDA SRS 83T665YQ5E
PubChem 89852
ChemSpider 81105.0