Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C57TJ6HK3A
EPA CompTox DTXSID30175659

Structure

InChI Key FJKIADFDXOCBRV-UHFFFAOYSA-N
Smiles FC1=CC=CC(N)=C1Cl
InChI
InChI=1/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/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 21397-08-0
NORMAN SUSDAT
FDA SRS C57TJ6HK3A
PubChem 88884