[4-bromo-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate

Formula:C20H17NO4BrF Mutagenic:high Tumorigenic:none Reproductive Effective:low [4-bromo-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate is a drug-like molecule.

MolName	[4-bromo-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate
MolecularFormula	C20H17NO4BrF
Smiles	O=C(/C=C/c(cccc1)c1F)c(cc(cc1)Br)c1OC(N1CCOCC1)=O
InChI	InChI=1S/C20H17BrFNO4/c21-15-6-8-19(27-20(25)23-9-11-26-12-10-23)16(13-15)18(24)7-5-14-3-1-2-4-17(14)22/h1-8,13H,9-12H2
InChIK	SXIYQBREYRUJSY-UHFFFAOYSA-N
TotalMolweight	434.26
Molweight	434.26
MonoisotopicMass	433.032498
CLogP	4.081
CLogS	-5.172
H Acceptors	5
TotalSurfaceArea	291.84
Relative PSA	0.17006
PolarSurfaceArea	55.84
Druglikeness	-4.9601
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

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