4-[(E)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-yl]morpholine

Formula:C16H17NO3F6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-yl]morpholine is a drug-like molecule.

MolName	4-[(E)-1-benzylsulfonyl-3,3,4,4,5,5-hexafluoropent-1-en-2-yl]morpholine
MolecularFormula	C16H17NO3F6S
Smiles	O=S(Cc1ccccc1)(/C=C(\C(C(C(F)F)(F)F)(F)F)/N1CCOCC1)=O
InChI	InChI=1S/C16H17F6NO3S/c17-14(18)16(21,22)15(19,20)13(23-6-8-26-9-7-23)11-27(24,25)10-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2
InChIK	PSSSEIDUZZYJEQ-UHFFFAOYSA-N
TotalMolweight	417.369
Molweight	417.369
MonoisotopicMass	417.083332
CLogP	2.5091
CLogS	-4.134
H Acceptors	4
TotalSurfaceArea	273.57
Relative PSA	0.154
PolarSurfaceArea	54.99
Druglikeness	-30.199
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	8
StereoCon

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