Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F55PY10L97
EPA CompTox DTXSID90871706

Structure

InChI Key UOUOCWPRMBRIEM-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)C(O)N
InChI
InChI=1/C2H4Cl3NO/c3-2(4,5)1(6)7/h1,7H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4Cl3NO
Molecular Weight 162.94
AlogP 0.63
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 507-47-1
NORMAN SUSDAT
FDA SRS F55PY10L97
PubChem 101722