Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20964332

Structure

InChI Key FGMRHGUEOYXVMX-UHFFFAOYSA-N
Smiles ClCC1N(C)CCCC1
InChI
InChI=1/C7H14ClN/c1-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14ClN
Molecular Weight 147.08
AlogP 1.71
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 49665-74-9
NORMAN SUSDAT
PubChem 123517