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

Formula:C13H5N2OF9 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
MolecularFormula	C13H5N2OF9
Smiles	FC(c1nc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)(F)F
InChI	InChI=1S/C13H5F9N2O/c14-11(15,16)7-3-6(4-8(5-7)12(17,18)19)1-2-9-23-10(25-24-9)13(20,21)22/h1-5H
InChIK	CMRAEIFUVYZKLY-UHFFFAOYSA-N
TotalMolweight	376.178
Molweight	376.178
MonoisotopicMass	376.025815
CLogP	4.4771
CLogS	-4.128
H Acceptors	3
TotalSurfaceArea	235.11
Relative PSA	0.15333
PolarSurfaceArea	38.92
Druglikeness	-11.77
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	10
Aromatic Nitrogens	2
StereoCon

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