2-[[3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]aniline

Formula:C19H13N3OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]aniline is a drug-like molecule.

MolName	2-[[3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]aniline
MolecularFormula	C19H13N3OF6S
Smiles	Nc(cccc1)c1SCc1nc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1
InChI	InChI=1S/C19H13F6N3OS/c20-18(21,22)12-7-11(8-13(9-12)19(23,24)25)5-6-16-27-17(29-28-16)10-30-15-4-2-1-3-14(15)26/h1-9H,10,26H2
InChIK	HFLNIEKGSJAMDI-UHFFFAOYSA-N
TotalMolweight	445.386
Molweight	445.386
MonoisotopicMass	445.06835
CLogP	4.9129
CLogS	-5.855
H Acceptors	4
H Donors	1
TotalSurfaceArea	305.18
Relative PSA	0.22547
PolarSurfaceArea	90.24
Druglikeness	-5.418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
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	8
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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1 - 2-[[3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]aniline | 2 - 2-[[3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]aniline

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