Structure

InChI Key LPEPZBJOKDYZAD-UHFFFAOYSA-N
Smile O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10F3NO2
Molecular Weight 281.23
AlogP 4.15
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 42638
ChEMBL CHEMBL23588
DrugBank DB02266
DrugCentral 1193
EPA CompTox DTXSID7023063
FDA SRS 60GCX7Y6BH
Guide to Pharmacology 2447
KEGG C13038
PDB FLF
PharmGKB PA166049190
PubChem 3371
SureChEMBL SCHEMBL17497
ZINC ZINC000000086535