Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PP7F4PAA2F
EPA CompTox DTXSID8066559

Structure

InChI Key FUSJRPBAYJMLEA-UHFFFAOYSA-N
Smiles CNC(=O)C(Cl)(Cl)C(=O)C
InChI
InChI=1S/C5H7Cl2NO2/c1-3(9)5(6,7)4(10)8-2/h1-2H3,(H,8,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7Cl2N1O2
Molecular Weight 182.99
AlogP 1.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 49.66
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 20132-74-5
NORMAN SUSDAT
FDA SRS PP7F4PAA2F
PubChem 88376
ChemSpider 79730.0