Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70967136

Structure

InChI Key FFOIFAAVWJZLFE-UHFFFAOYSA-N
Smiles CN1CCCC(CCl)C1
InChI
InChI=1/C7H14ClN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14ClN
Molecular Weight 147.08
AlogP 1.57
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 52694-50-5
NORMAN SUSDAT
PubChem 103674
ChemSpider 93603.0