[3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate

Formula:C20H18NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate is a drug-like molecule.

MolName	[3-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] morpholine-4-carboxylate
MolecularFormula	C20H18NO4Br
Smiles	O=C(/C=C/c1cc(OC(N2CCOCC2)=O)ccc1)c(cc1)ccc1Br
InChI	InChI=1S/C20H18BrNO4/c21-17-7-5-16(6-8-17)19(23)9-4-15-2-1-3-18(14-15)26-20(24)22-10-12-25-13-11-22/h1-9,14H,10-13H2
InChIK	FLBFSABYXKWOBJ-UHFFFAOYSA-N
TotalMolweight	416.27
Molweight	416.27
MonoisotopicMass	415.04192
CLogP	3.9802
CLogS	-4.858
H Acceptors	5
TotalSurfaceArea	285.49
Relative PSA	0.17384
PolarSurfaceArea	55.84
Druglikeness	-3.6201
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	1
StereoCon

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