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

Formula:C16H10N3O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole is a drug-like molecule.

MolName	5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
MolecularFormula	C16H10N3O3Cl
Smiles	[O-][N+](c(cc1)ccc1-c1noc(/C=C/c(cccc2)c2Cl)n1)=O
InChI	InChI=1S/C16H10ClN3O3/c17-14-4-2-1-3-11(14)7-10-15-18-16(19-23-15)12-5-8-13(9-6-12)20(21)22/h1-10H
InChIK	QRYSILFWCOZDRA-UHFFFAOYSA-N
TotalMolweight	327.726
Molweight	327.726
MonoisotopicMass	327.041069
CLogP	3.3701
CLogS	-5.851
H Acceptors	6
TotalSurfaceArea	245.58
Relative PSA	0.27067
PolarSurfaceArea	84.74
Druglikeness	-3.7469
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
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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