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

Formula:C19H11N2O3ClF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazole is a drug-like molecule.

MolName	3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-[(4-chlorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
MolecularFormula	C19H11N2O3ClF6S
Smiles	O=S(Cc1nc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1)(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C19H11ClF6N2O3S/c20-14-2-4-15(5-3-14)32(29,30)10-17-27-16(28-31-17)6-1-11-7-12(18(21,22)23)9-13(8-11)19(24,25)26/h1-9H,10H2
InChIK	RVJHUDUZTQETFM-UHFFFAOYSA-N
TotalMolweight	496.814
Molweight	496.814
MonoisotopicMass	496.008308
CLogP	4.721
CLogS	-6.084
H Acceptors	5
TotalSurfaceArea	323.17
Relative PSA	0.19999
PolarSurfaceArea	81.44
Druglikeness	-22.694
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	11
Aromatic Nitrogens	2
StereoCon

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