2-(3-nitrophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3,4-oxadiazole

Formula:C17H10N3O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(3-nitrophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-(3-nitrophenyl)-5-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3,4-oxadiazole
MolecularFormula	C17H10N3O4F3
Smiles	[O-][N+](c1cccc(-c2nnc(/C=C/c(cc3)ccc3OC(F)(F)F)o2)c1)=O
InChI	InChI=1S/C17H10F3N3O4/c18-17(19,20)27-14-7-4-11(5-8-14)6-9-15-21-22-16(26-15)12-2-1-3-13(10-12)23(24)25/h1-10H
InChIK	PJUVKPJPBWAVPM-UHFFFAOYSA-N
TotalMolweight	377.277
Molweight	377.277
MonoisotopicMass	377.062341
CLogP	3.7586
CLogS	-6.248
H Acceptors	7
TotalSurfaceArea	269.62
Relative PSA	0.28362
PolarSurfaceArea	93.97
Druglikeness	-12.824
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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