Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7075131

Structure

InChI Key ZFQKTZQBBRHWPC-UHFFFAOYSA-N
Smiles N#CC1=C(F)C(F)=C(N)C(F)=C1F
InChI
InChI=1/C7H2F4N2/c8-3-2(1-12)4(9)6(11)7(13)5(3)10/h13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H2F4N2
Molecular Weight 190.02
AlogP 1.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 49.81
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 17823-38-0
NORMAN SUSDAT
PubChem 87322