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

Formula:C16H11N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(3-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is a drug-like molecule.

MolName	2-(3-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
MolecularFormula	C16H11N3O3
Smiles	[O-][N+](c1cc(-c2nnc(/C=C/c3ccccc3)o2)ccc1)=O
InChI	InChI=1S/C16H11N3O3/c20-19(21)14-8-4-7-13(11-14)16-18-17-15(22-16)10-9-12-5-2-1-3-6-12/h1-11H
InChIK	YHBQWXDMHVOGTI-UHFFFAOYSA-N
TotalMolweight	293.281
Molweight	293.281
MonoisotopicMass	293.080042
CLogP	2.6596
CLogS	-5.225
H Acceptors	6
TotalSurfaceArea	230.16
Relative PSA	0.2888
PolarSurfaceArea	84.74
Druglikeness	-4.8241
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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