Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2TK444LD3S
EPA CompTox DTXSID7062326

Structure

InChI Key CQQUWTMMFMJEFE-UHFFFAOYSA-N
Smiles CCN(CC)C(=O)CCl
InChI
InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Cl1N1O1
Molecular Weight 149.06
AlogP 1.09
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2315-36-8
NORMAN SUSDAT
FDA SRS 2TK444LD3S
PubChem 16844
ChemSpider 15963.0