(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]prop-2-en-1-one

Formula:C22H19NO3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C22H19NO3BrF
Smiles	C#Cc1cccc(OCC(C2)OCCN2C(/C=C/c(cc2)cc(Br)c2F)=O)c1
InChI	InChI=1S/C22H19BrFNO3/c1-2-16-4-3-5-18(12-16)28-15-19-14-25(10-11-27-19)22(26)9-7-17-6-8-21(24)20(23)13-17/h1,3-9,12-13,19H,10-11,14-15H2/t19-/m1/s1
InChIK	KWVQYUWFPOQLJL-LJQANCHMSA-N
TotalMolweight	444.299
Molweight	444.299
MonoisotopicMass	443.053233
CLogP	3.9337
CLogS	-3.605
H Acceptors	4
TotalSurfaceArea	310.4
Relative PSA	0.11788
PolarSurfaceArea	38.77
Druglikeness	-0.079657
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
StereoCon	racemate

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