Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4Z08YSI6SH
EPA CompTox DTXSID8042185

Structure

InChI Key IEKRAJMVKUYCNE-UHFFFAOYSA-N
Smiles CC(=O)N(CCl)CCl
InChI
InChI=1S/C4H7Cl2NO/c1-4(8)7(2-5)3-6/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl2N1O1
Molecular Weight 154.99
AlogP 1.23
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.31
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 56343-50-1
NORMAN SUSDAT
FDA SRS 4Z08YSI6SH
PubChem 62113
ChemSpider 55949.0