Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QDM98ZM5WS
EPA CompTox DTXSID9073258

Structure

InChI Key YMQRPXBBBOXHNZ-UHFFFAOYSA-N
Smiles ClCC(=O)N1CCOCC1
InChI
InChI=1S/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10Cl1N1O2
Molecular Weight 163.04
AlogP 0.08
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.54
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1440-61-5
NORMAN SUSDAT
FDA SRS QDM98ZM5WS
PubChem 74040
ChemSpider 66659.0