Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00206666

Structure

InChI Key CSFDTBRRIBJILD-UHFFFAOYSA-N
Smiles FC1=CC(Cl)=CC=C1N
InChI
InChI=1/C6H5ClFN/c7-4-1-2-6(9)5(8)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 57946-56-2
NORMAN SUSDAT
PubChem 93898