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

Formula:C21H19NO5ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one
MolecularFormula	C21H19NO5ClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc(cc2)cc3c2OCO3)OCC1
InChI	InChI=1S/C21H19ClFNO5/c22-17-2-1-3-18(23)16(17)5-7-21(25)24-8-9-26-15(11-24)12-27-14-4-6-19-20(10-14)29-13-28-19/h1-7,10,15H,8-9,11-13H2/t15-/m1/s1
InChIK	PFNUFXNPBPVKGK-OAHLLOKOSA-N
TotalMolweight	419.835
Molweight	419.835
MonoisotopicMass	419.093579
CLogP	3.8247
CLogS	-4.785
H Acceptors	6
TotalSurfaceArea	303.64
Relative PSA	0.18637
PolarSurfaceArea	57.23
Druglikeness	1.6954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Amides	1
StereoCon	racemate

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