Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII BHP25L7DWP
EPA CompTox DTXSID80234846

Structure

InChI Key WLENWSWMXQHHHP-UHFFFAOYSA-N
Smiles Cl.O=C(Cl)CCCN1CCCC1
InChI
InChI=1/C8H14ClNO.ClH/c9-8(11)4-3-7-10-5-1-2-6-10;/h1-7H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14ClNO
Molecular Weight 211.05
AlogP 2.05
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 20.31
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 85614-46-6
NORMAN SUSDAT
FDA SRS BHP25L7DWP
PubChem 21149652