Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PHW4HDJ46T
EPA CompTox DTXSID0068153

Structure

InChI Key OAGDRIUTLPDSMJ-UHFFFAOYSA-N
Smiles FC=1C=CC=CC1N=C=S
InChI
InChI=1/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4FNS
Molecular Weight 153.0
AlogP 2.56
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.36
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 38985-64-7
NORMAN SUSDAT
FDA SRS PHW4HDJ46T
PubChem 97520