3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(chloromethyl)-1,2,4-oxadiazole

Formula:C13H7N2OClF6 Mutagenic:low Tumorigenic:high Reproductive Effective:high 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(chloromethyl)-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(chloromethyl)-1,2,4-oxadiazole
MolecularFormula	C13H7N2OClF6
Smiles	FC(c1cc(/C=C/c2noc(CCl)n2)cc(C(F)(F)F)c1)(F)F
InChI	InChI=1S/C13H7ClF6N2O/c14-6-11-21-10(22-23-11)2-1-7-3-8(12(15,16)17)5-9(4-7)13(18,19)20/h1-5H,6H2
InChIK	ZELCQHTUHQJRCV-UHFFFAOYSA-N
TotalMolweight	356.653
Molweight	356.653
MonoisotopicMass	356.015108
CLogP	4.1629
CLogS	-4.468
H Acceptors	3
TotalSurfaceArea	234.83
Relative PSA	0.15352
PolarSurfaceArea	38.92
Druglikeness	-7.2307
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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