3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole

Formula:C18H8N2OF8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole is not a drug-like molecule.

MolName	3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
MolecularFormula	C18H8N2OF8
Smiles	FC(c1cc(/C=C/c2noc(-c(c(F)ccc3)c3F)n2)cc(C(F)(F)F)c1)(F)F
InChI	InChI=1S/C18H8F8N2O/c19-12-2-1-3-13(20)15(12)16-27-14(28-29-16)5-4-9-6-10(17(21,22)23)8-11(7-9)18(24,25)26/h1-8H
InChIK	KQDRAFNDBYVAEL-UHFFFAOYSA-N
TotalMolweight	420.259
Molweight	420.259
MonoisotopicMass	420.050887
CLogP	5.5839
CLogS	-6.839
H Acceptors	3
TotalSurfaceArea	278.11
Relative PSA	0.12962
PolarSurfaceArea	38.92
Druglikeness	-5.9101
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	11
Aromatic Nitrogens	2
StereoCon

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