Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EMD2GPF3XZ
EPA CompTox DTXSID40175286

Structure

InChI Key JCYROOANFKVAIB-UHFFFAOYSA-N
Smiles FC1=CC=C(Cl)C=C1N
InChI
InChI=1/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5ClFN
Molecular Weight 145.01
AlogP 2.06
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 2106-05-0
NORMAN SUSDAT
FDA SRS EMD2GPF3XZ
PubChem 75015