Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1228T7TD5O
EPA CompTox DTXSID6021537

Structure

InChI Key IRQJPTVOWBXCHM-UHFFFAOYNA-N
Smiles CCCCCCCCCCC(C)Cl
InChI
InChI=1S/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H25Cl1
Molecular Weight 204.16
AlogP 5.14
Number of Rotational Bond 9.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 2350-11-0
NORMAN SUSDAT
FDA SRS 1228T7TD5O
ChemSpider 15990.0