3-[(E)-2-[4-bromo-2-(trifluoromethyl)phenyl]ethenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole

Formula:C17H11N3OBrF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-[4-bromo-2-(trifluoromethyl)phenyl]ethenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[(E)-2-[4-bromo-2-(trifluoromethyl)phenyl]ethenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
MolecularFormula	C17H11N3OBrF3S
Smiles	FC(c1c(/C=C/c2noc(CSc3ncccc3)n2)ccc(Br)c1)(F)F
InChI	InChI=1S/C17H11BrF3N3OS/c18-12-6-4-11(13(9-12)17(19,20)21)5-7-14-23-15(25-24-14)10-26-16-3-1-2-8-22-16/h1-9H,10H2
InChIK	IFYJNSPBEXTHMW-UHFFFAOYSA-N
TotalMolweight	442.258
Molweight	442.258
MonoisotopicMass	440.975827
CLogP	4.5636
CLogS	-4.803
H Acceptors	4
TotalSurfaceArea	284.59
Relative PSA	0.22668
PolarSurfaceArea	77.11
Druglikeness	-7.2004
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - 3-[(E)-2-[4-bromo-2-(trifluoromethyl)phenyl]ethenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole | 2 - 3-[(E)-2-[4-bromo-2-(trifluoromethyl)phenyl]ethenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,2,4-oxadiazole

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