Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2F3Z1E37X5
EPA CompTox DTXSID4060864

Structure

InChI Key DZMDPHNGKBEVRE-UHFFFAOYSA-N
Smiles CCCCCCCCl
InChI
InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15Cl1
Molecular Weight 134.09
AlogP 3.2
Number of Rotational Bond 5.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 629-06-1
NORMAN SUSDAT
FDA SRS 2F3Z1E37X5
PubChem 12371
ChemSpider 11865.0