Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50144847

Structure

InChI Key CMDIDTNMHQUVPE-UHFFFAOYSA-N
Smiles CC(=O)CCCCCl
InChI
InChI=1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11Cl1O1
Molecular Weight 134.05
AlogP 1.98
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 10226-30-9
NORMAN SUSDAT
PubChem 82468
ChemSpider 74426.0