Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20182135

Structure

InChI Key VCZFCDMBZCEPFV-UHFFFAOYSA-N
Smiles ClC(=O)N1CCCCCC1
InChI
InChI=1S/C7H12ClNO/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12Cl1N1O1
Molecular Weight 161.06
AlogP 2.22
Hydrogen Bond Acceptor 1.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 27817-35-2
NORMAN SUSDAT
PubChem 119722
ChemSpider 106897.0