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

Formula:C16H7N3O3F6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[3,5-bis(trifluoromethyl)phenyl]-5-[(E)-2-(5-nitrothiophen-3-yl)ethenyl]-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[3,5-bis(trifluoromethyl)phenyl]-5-[(E)-2-(5-nitrothiophen-3-yl)ethenyl]-1,2,4-oxadiazole
MolecularFormula	C16H7N3O3F6S
Smiles	[O-][N+](c1cc(/C=C/c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cs1)=O
InChI	InChI=1S/C16H7F6N3O3S/c17-15(18,19)10-4-9(5-11(6-10)16(20,21)22)14-23-12(28-24-14)2-1-8-3-13(25(26)27)29-7-8/h1-7H
InChIK	SNANMUTWCYQQKH-UHFFFAOYSA-N
TotalMolweight	435.304
Molweight	435.304
MonoisotopicMass	435.01123
CLogP	4.4347
CLogS	-6.721
H Acceptors	6
TotalSurfaceArea	285.02
Relative PSA	0.30465
PolarSurfaceArea	112.98
Druglikeness	-10.245
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	8
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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