Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70168287

Structure

InChI Key VZNCSZQPNIEEMN-UHFFFAOYSA-N
Smiles O=C=NC=1C=CC=CC1F
InChI
InChI=1/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4FNO
Molecular Weight 137.03
AlogP 1.79
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 29.43
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 16744-98-2
NORMAN SUSDAT
PubChem 85588