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

Formula:C19H11N2OClF6S Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole is not a drug-like molecule.

MolName	3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
MolecularFormula	C19H11N2OClF6S
Smiles	FC(c1cc(/C=C/c2noc(CSc(cc3)ccc3Cl)n2)cc(C(F)(F)F)c1)(F)F
InChI	InChI=1S/C19H11ClF6N2OS/c20-14-2-4-15(5-3-14)30-10-17-27-16(28-29-17)6-1-11-7-12(18(21,22)23)9-13(8-11)19(24,25)26/h1-9H,10H2
InChIK	HIHUWPKPCVHLIU-UHFFFAOYSA-N
TotalMolweight	464.816
Molweight	464.816
MonoisotopicMass	464.018478
CLogP	6.1962
CLogS	-6.515
H Acceptors	3
TotalSurfaceArea	312.08
Relative PSA	0.17156
PolarSurfaceArea	64.22
Druglikeness	-5.3404
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	10
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

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

Request More Details | 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments