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

Formula:C21H16NO5F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
MolecularFormula	C21H16NO5F5
Smiles	O=C(/C=C/c(c(F)c(c(F)c1F)F)c1F)N1CC(COc(cc2)cc3c2OCO3)OCC1
InChI	InChI=1S/C21H16F5NO5/c22-17-13(18(23)20(25)21(26)19(17)24)2-4-16(28)27-5-6-29-12(8-27)9-30-11-1-3-14-15(7-11)32-10-31-14/h1-4,7,12H,5-6,8-10H2/t12-/m1/s1
InChIK	ZMNGCFYHUPCXNA-GFCCVEGCSA-N
TotalMolweight	457.35
Molweight	457.35
MonoisotopicMass	457.094864
CLogP	3.6219
CLogS	-5.305
H Acceptors	6
TotalSurfaceArea	313.62
Relative PSA	0.18044
PolarSurfaceArea	57.23
Druglikeness	1.6413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amides	1
StereoCon	racemate

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

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