Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5B8GP7SE8E
EPA CompTox DTXSID20190139

Structure

InChI Key ACMJJQYSPUPMPN-UHFFFAOYSA-N
Smiles FC1=CC(N)=CC=C1Cl
InChI
InChI=1/C6H5ClFN/c7-5-2-1-4(9)3-6(5)8/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 367-22-6
NORMAN SUSDAT
FDA SRS 5B8GP7SE8E
PubChem 2736511