Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZL8W3FGT5K
EPA CompTox DTXSID10192940

Structure

InChI Key ODFFPRGJZRXNHZ-UHFFFAOYSA-N
Smiles FC=1C=CC=2NC=CC2C1
InChI
InChI=1/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6FN
Molecular Weight 135.05
AlogP 2.31
Hydrogen Bond Donor 1.0
Polar Surface Area 15.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 399-52-0
NORMAN SUSDAT
FDA SRS ZL8W3FGT5K
PubChem 67861