Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HA447HVH98
EPA CompTox DTXSID2061018

Structure

InChI Key GOYNRDSJTYLXBU-UHFFFAOYSA-N
Smiles FC=1N=C(F)C(Cl)=C(F)N1
InChI
InChI=1/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7

Physicochemical Descriptors

Property Name Value
Molecular Formula C4ClF3N2
Molecular Weight 167.97
AlogP 1.55
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 697-83-6
NORMAN SUSDAT
FDA SRS HA447HVH98
PubChem 69679