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

Formula:C16H13N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(2-nitrophenyl)ethenyl]-3-phenyl-2,5-dihydro-1,2,4-oxadiazole is a drug-like molecule.

MolName	5-[(E)-2-(2-nitrophenyl)ethenyl]-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
MolecularFormula	C16H13N3O3
Smiles	[O-][N+](c1c(/C=C/C2ONC(c3ccccc3)=N2)cccc1)=O
InChI	InChI=1S/C16H13N3O3/c20-19(21)14-9-5-4-6-12(14)10-11-15-17-16(18-22-15)13-7-2-1-3-8-13/h1-11,15H,(H,17,18)/t15-/m0/s1
InChIK	GGYITTPZAGCSGH-HNNXBMFYSA-N
TotalMolweight	295.297
Molweight	295.297
MonoisotopicMass	295.095692
CLogP	1.9794
CLogS	-4.431
H Acceptors	6
H Donors	1
TotalSurfaceArea	226.62
Relative PSA	0.27972
PolarSurfaceArea	79.44
Druglikeness	-5.4935
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

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

Request More Details | 5-[(E)-2-(2-nitrophenyl)ethenyl]-3-phenyl-2,5-dihydro-1,2,4-oxadiazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments