Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 50D9XSG0VR
EPA CompTox DTXSID2020975

Structure

InChI Key HAWPXGHAZFHHAD-UHFFFAOYSA-N
Smiles CN(CCCl)CCCl
InChI
InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11Cl2N1
Molecular Weight 155.03
AlogP 1.4
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 51-75-2
NORMAN SUSDAT
FDA SRS 50D9XSG0VR
PubChem 4033
ChemSpider 3893.0