Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3052195

Structure

InChI Key WORKHWHULFDZDE-UHFFFAOYNA-N
Smiles CCN(CC)C(=O)C(C)Cl
InChI
InChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3/t6-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14Cl1N1O1
Molecular Weight 163.08
AlogP 1.48
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 54333-75-4
NORMAN SUSDAT
ChemSpider 37468.0