Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6N4A5V83WE
EPA CompTox DTXSID2022094

Structure

InChI Key LBKDGROORAKTLC-UHFFFAOYSA-N
Smiles ClCCCCCCl
InChI
InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10Cl2
Molecular Weight 140.02
AlogP 2.63
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 628-76-2
NORMAN SUSDAT
FDA SRS 6N4A5V83WE
PubChem 12353
ChemSpider 456008.0