Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0H8W4Y2ETW
EPA CompTox DTXSID70870732

Structure

InChI Key HKDCIIMOALDWHF-UHFFFAOYSA-N
Smiles ClC(C)CCCCCC
InChI
InChI=1/C8H17Cl/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17Cl
Molecular Weight 148.1
AlogP 3.58
Number of Rotational Bond 5.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 628-61-5
NORMAN SUSDAT
FDA SRS 0H8W4Y2ETW
PubChem 12347