(E)-3-(2-chloro-6-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one

Formula:C14H15NOClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
MolecularFormula	C14H15NOClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)N1CCCCC1
InChI	InChI=1S/C14H15ClFNO/c15-12-5-4-6-13(16)11(12)7-8-14(18)17-9-2-1-3-10-17/h4-8H,1-3,9-10H2
InChIK	AKQWMNSBFWUDIL-UHFFFAOYSA-N
TotalMolweight	267.73
Molweight	267.73
MonoisotopicMass	267.082619
CLogP	3.5339
CLogS	-3.635
H Acceptors	2
TotalSurfaceArea	204.88
Relative PSA	0.080974
PolarSurfaceArea	20.31
Druglikeness	-0.87483
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
Amides	1
StereoCon

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