5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole

Formula:C16H9N2OClF2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole is a drug-like molecule.

MolName	5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
MolecularFormula	C16H9N2OClF2
Smiles	Fc1cccc(F)c1-c1noc(/C=C/c(cccc2)c2Cl)n1
InChI	InChI=1S/C16H9ClF2N2O/c17-11-5-2-1-4-10(11)8-9-14-20-16(21-22-14)15-12(18)6-3-7-13(15)19/h1-9H
InChIK	IOHZDICGRUBPRC-UHFFFAOYSA-N
TotalMolweight	318.709
Molweight	318.709
MonoisotopicMass	318.037146
CLogP	4.4933
CLogS	-6.019
H Acceptors	3
TotalSurfaceArea	234.61
Relative PSA	0.15366
PolarSurfaceArea	38.92
Druglikeness	0.010547
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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