Structure

InChI Key HIIJZYSUEJYLMX-UHFFFAOYSA-N
Smile O=[N+]([O-])c1nccn1CC(O)CF
InChI
InChI=1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8FN3O3
Molecular Weight 189.15
AlogP 0.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 81.19
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Esophageal Neoplasms 1 D004938 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2068841
EPA CompTox DTXSID30875662
FDA SRS 082285VIDF
PubChem 92242
SureChEMBL SCHEMBL368122