Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4JNJ8ZZ368
EPA CompTox DTXSID70190144

Structure

InChI Key YNOOQIUSYGWMSS-UHFFFAOYSA-N
Smiles FC1=CC=C(F)C(N)=C1
InChI
InChI=1/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5F2N
Molecular Weight 129.04
AlogP 1.55
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 367-30-6
NORMAN SUSDAT
FDA SRS 4JNJ8ZZ368
PubChem 67775