Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6U47K7QVJ6
EPA CompTox DTXSID8062448

Structure

InChI Key ZHKKNUKCXPWZOP-UHFFFAOYSA-N
Smiles ClCCCCCCCCCCC
InChI
InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23Cl1
Molecular Weight 190.15
AlogP 4.76
Number of Rotational Bond 9.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2473-03-2
NORMAN SUSDAT
FDA SRS 6U47K7QVJ6
PubChem 17186
ChemSpider 16269.0