Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6BJK2UX42J
EPA CompTox DTXSID80150032

Structure

InChI Key QEISABAAOUXQNG-UHFFFAOYSA-N
Smiles ClCCCC1CCCCC1
InChI
InChI=1S/C9H17Cl/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17Cl1
Molecular Weight 160.1
AlogP 3.59
Number of Rotational Bond 3.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1124-62-5
NORMAN SUSDAT
FDA SRS 6BJK2UX42J
PubChem 70762
ChemSpider 63927.0