Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PZ3T7X9RBZ
EPA CompTox DTXSID80196415

Structure

InChI Key YCCQGFYAVUTQFK-UHFFFAOYSA-N
Smiles FC1=CC=CC(N)=C1F
InChI
InChI=1/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/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 4519-40-8
NORMAN SUSDAT
FDA SRS PZ3T7X9RBZ
PubChem 78278