Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50158601

Structure

InChI Key GWHSVFQLPXJHBX-UHFFFAOYSA-N
Smiles CCCCN(CCCl)CCCC
InChI
InChI=1S/C10H22ClN/c1-3-5-8-12(10-7-11)9-6-4-2/h3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22Cl1N1
Molecular Weight 191.14
AlogP 3.13
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 3.24
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13422-90-7
NORMAN SUSDAT
PubChem 83431
ChemSpider 75281.0