(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

Formula:C22H16NO3F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
MolecularFormula	C22H16NO3F5
Smiles	C#Cc1cccc(OCC(C2)OCCN2C(/C=C/c(c(F)c(c(F)c2F)F)c2F)=O)c1
InChI	InChI=1S/C22H16F5NO3/c1-2-13-4-3-5-14(10-13)31-12-15-11-28(8-9-30-15)17(29)7-6-16-18(23)20(25)22(27)21(26)19(16)24/h1,3-7,10,15H,8-9,11-12H2/t15-/m1/s1
InChIK	KSQFMJMFZWGBPN-OAHLLOKOSA-N
TotalMolweight	437.363
Molweight	437.363
MonoisotopicMass	437.105034
CLogP	3.6117
CLogS	-4.027
H Acceptors	4
TotalSurfaceArea	317.17
Relative PSA	0.11536
PolarSurfaceArea	38.77
Druglikeness	1.7103
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
StereoCon	racemate

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1 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one | 2 - (E)-1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one

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