Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 939242TZ0L
EPA CompTox DTXSID2042357

Structure

InChI Key PKSORSNCSXBXOT-UHFFFAOYSA-N
Smiles Fc1nc(F)c(Cl)c(F)c1Cl
InChI
InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9

Physicochemical Descriptors

Property Name Value
Molecular Formula C5Cl2F3N1
Molecular Weight 200.94
AlogP 2.81
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1737-93-5
NORMAN SUSDAT
FDA SRS 939242TZ0L
PubChem 61273
ChemSpider 55212.0