[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone

Formula:C20H17N2OF11 Mutagenic:none Tumorigenic:none Reproductive Effective:low [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone is not a drug-like molecule.

MolName	[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone
MolecularFormula	C20H17N2OF11
Smiles	O=C(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C1(F)F)F)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C20H17F11N2O/c21-15(16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25)14(34)33-11-9-32(10-12-33)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2
InChIK	IDASERPIBGDWAR-UHFFFAOYSA-N
TotalMolweight	510.346
Molweight	510.346
MonoisotopicMass	510.116521
CLogP	4.0966
CLogS	-5.196
H Acceptors	3
TotalSurfaceArea	312.22
Relative PSA	0.064506
PolarSurfaceArea	23.55
Druglikeness	-60.762
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	13
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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