2,2,2-trifluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone

Formula:C15H18N2OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,2,2-trifluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone is a drug-like molecule.

MolName	2,2,2-trifluoro-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone
MolecularFormula	C15H18N2OF3
Smiles	O=C(C(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C15H17F3N2O/c16-15(17,18)14(21)20-11-9-19(10-12-20)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2/p+1
InChIK	BZLIZRVURLAONX-UHFFFAOYSA-O
TotalMolweight	299.315
Molweight	299.315
MonoisotopicMass	299.137122
CLogP	0.5534
CLogS	-2.238
H Acceptors	3
H Donors	1
TotalSurfaceArea	236.91
Relative PSA	0.14427
PolarSurfaceArea	24.75
Druglikeness	-24.448
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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