Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0EG9MSD3NK
EPA CompTox DTXSID40870603

Structure

InChI Key SQCZQTSHSZLZIQ-UHFFFAOYSA-N
Smiles ClCCCCC
InChI
InChI=1/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11Cl
Molecular Weight 106.05
AlogP 2.42
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 543-59-9
NORMAN SUSDAT
FDA SRS 0EG9MSD3NK
PubChem 10977