Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7RVW3VMN95
EPA CompTox DTXSID00181085

Structure

InChI Key NITSLSVRNZVJHN-UHFFFAOYSA-N
Smiles CC(C)(Cl)CCCC(=C)C=C
InChI
InChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5H,1-2,6-8H2,3-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17Cl1
Molecular Weight 172.1
AlogP 3.92
Number of Rotational Bond 5.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 26492-09-1
NORMAN SUSDAT
FDA SRS 7RVW3VMN95
PubChem 3015281
ChemSpider 2283447.0