Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GC4UKN4T4Y
EPA CompTox DTXSID90189838

Structure

InChI Key ZJLAWMDJTMMTQB-UHFFFAOYSA-N
Smiles FC1=CC=CC(Cl)=C1N
InChI
InChI=1/C6H5ClFN/c7-4-2-1-3-5(8)6(4)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 363-51-9
NORMAN SUSDAT
FDA SRS GC4UKN4T4Y
PubChem 2734205