2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one

Formula:C18H17N2OF9 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one is a drug-like molecule.

MolName	2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
MolecularFormula	C18H17N2OF9
Smiles	O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C18H17F9N2O/c19-15(20,16(21,22)17(23,24)18(25,26)27)14(30)29-11-9-28(10-12-29)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2
InChIK	UXRDBYFRZDYJHO-UHFFFAOYSA-N
TotalMolweight	448.328
Molweight	448.328
MonoisotopicMass	448.119715
CLogP	4.7901
CLogS	-4.392
H Acceptors	3
TotalSurfaceArea	292.2
Relative PSA	0.068925
PolarSurfaceArea	23.55
Druglikeness	-108.92
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	9
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one | 2 - 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one

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