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

Formula:C18H12N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]-1,3,4-oxadiazole is a drug-like molecule.

MolName	2,5-bis[(E)-2-(4-nitrophenyl)ethenyl]-1,3,4-oxadiazole
MolecularFormula	C18H12N4O5
Smiles	[O-][N+](c1ccc(/C=C/c2nnc(/C=C/c(cc3)ccc3[N+]([O-])=O)o2)cc1)=O
InChI	InChI=1S/C18H12N4O5/c23-21(24)15-7-1-13(2-8-15)5-11-17-19-20-18(27-17)12-6-14-3-9-16(10-4-14)22(25)26/h1-12H
InChIK	RXBJYUUSHWJAPP-UHFFFAOYSA-N
TotalMolweight	364.316
Molweight	364.316
MonoisotopicMass	364.080771
CLogP	2.1915
CLogS	-4.96
H Acceptors	9
TotalSurfaceArea	280.33
Relative PSA	0.34563
PolarSurfaceArea	130.56
Druglikeness	-4.8241
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	15
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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