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

Formula:C20H17NO4BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate is a drug-like molecule.

MolName	[4-bromo-2-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate
MolecularFormula	C20H17NO4BrCl
Smiles	O=C(/C=C/c(cccc1)c1Cl)c(cc(cc1)Br)c1OC(N1CCOCC1)=O
InChI	InChI=1S/C20H17BrClNO4/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	ZIRQXLGYSPUSJS-UHFFFAOYSA-N
TotalMolweight	450.715
Molweight	450.715
MonoisotopicMass	449.002947
CLogP	4.5862
CLogS	-5.594
H Acceptors	5
TotalSurfaceArea	300.91
Relative PSA	0.16493
PolarSurfaceArea	55.84
Druglikeness	-3.5642
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
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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