Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WC3ZS5FY7R
EPA CompTox DTXSID60192591

Structure

InChI Key RNAAXKYOTPSFGV-UHFFFAOYSA-N
Smiles Fc1cccc2cccnc12
InChI
InChI=1S/C9H6FN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6F1N1
Molecular Weight 147.05
AlogP 2.37
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 394-68-3
NORMAN SUSDAT
FDA SRS WC3ZS5FY7R