Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I7GE8HG3B2
EPA CompTox DTXSID8059718

Structure

InChI Key YWGHUJQYGPDNKT-UHFFFAOYSA-N
Smiles O=C(Cl)CCCCC
InChI
InChI=1/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11ClO
Molecular Weight 134.05
AlogP 2.33
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 142-61-0
NORMAN SUSDAT
FDA SRS I7GE8HG3B2
PubChem 67340