Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B7S235P9VD
EPA CompTox DTXSID4062931

Structure

InChI Key ZAPMTSHEXFEPSD-UHFFFAOYSA-N
Smiles ClCCN1CCOCC1
InChI
InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Cl1N1O1
Molecular Weight 149.06
AlogP 0.56
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 12.47
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 3240-94-6
NORMAN SUSDAT
FDA SRS B7S235P9VD
PubChem 76727
ChemSpider 69185.0