Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SE32ZK6617
EPA CompTox DTXSID8059843

Structure

InChI Key FTZQXOJYPFINKJ-UHFFFAOYSA-N
Smiles FC=1C=CC=CC1N
InChI
InChI=1/C6H6FN/c7-5-3-1-2-4-6(5)8/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 348-54-9
NORMAN SUSDAT
FDA SRS SE32ZK6617
PubChem 9584