Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U7P74HH8Z6
EPA CompTox DTXSID60203136

Structure

InChI Key UOMXIKXHYRRODT-UHFFFAOYSA-N
Smiles CN(C)C(=O)C(Cl)Cl
InChI
InChI=1S/C4H7Cl2NO/c1-7(2)4(8)3(5)6/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl2N1O1
Molecular Weight 154.99
AlogP 0.88
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5468-76-8
NORMAN SUSDAT
FDA SRS U7P74HH8Z6
PubChem 95295
ChemSpider 85992.0