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

Formula:C16H10N2OCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-(4-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-(4-chlorophenyl)-5-[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-oxadiazole
MolecularFormula	C16H10N2OCl2
Smiles	Clc(cc1)ccc1-c1noc(/C=C/c(cccc2)c2Cl)n1
InChI	InChI=1S/C16H10Cl2N2O/c17-13-8-5-12(6-9-13)16-19-15(21-20-16)10-7-11-3-1-2-4-14(11)18/h1-10H
InChIK	YILKERZPPNPYEW-UHFFFAOYSA-N
TotalMolweight	317.174
Molweight	317.174
MonoisotopicMass	316.017017
CLogP	4.8977
CLogS	-6.127
H Acceptors	3
TotalSurfaceArea	237.33
Relative PSA	0.1519
PolarSurfaceArea	38.92
Druglikeness	1.3505
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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