2,2,3,3,4,4,4-heptafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

Formula:C17H17N2OF7 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2,2,3,3,4,4,4-heptafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one is a drug-like molecule.

MolName	2,2,3,3,4,4,4-heptafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
MolecularFormula	C17H17N2OF7
Smiles	O=C(C(C(C(F)(F)F)(F)F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C17H17F7N2O/c18-15(19,16(20,21)17(22,23)24)14(27)26-11-9-25(10-12-26)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2
InChIK	XIVGYOYPVXZCGQ-UHFFFAOYSA-N
TotalMolweight	398.321
Molweight	398.321
MonoisotopicMass	398.122909
CLogP	4.0811
CLogS	-3.674
H Acceptors	3
TotalSurfaceArea	269.09
Relative PSA	0.074845
PolarSurfaceArea	23.55
Druglikeness	-78.492
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	8
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 2,2,3,3,4,4,4-heptafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one | 2 - 2,2,3,3,4,4,4-heptafluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

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