Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TLL4X88AZP
EPA CompTox DTXSID10190683

Structure

InChI Key QZVQQUVWFIZUBQ-UHFFFAOYSA-N
Smiles FC1=CC=CC(N)=C1
InChI
InChI=1/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6FN
Molecular Weight 111.05
AlogP 1.41
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 372-19-0
NORMAN SUSDAT
FDA SRS TLL4X88AZP
PubChem 9742