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

Formula:C20H16NO4BrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate is not a drug-like molecule.

MolName	[4-bromo-2-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate
MolecularFormula	C20H16NO4BrCl2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)c(cc(cc1)Br)c1OC(N1CCOCC1)=O
InChI	InChI=1S/C20H16BrCl2NO4/c21-14-3-6-19(28-20(26)24-7-9-27-10-8-24)16(11-14)18(25)5-2-13-1-4-15(22)12-17(13)23/h1-6,11-12H,7-10H2
InChIK	JJVOAGOAXHIURB-UHFFFAOYSA-N
TotalMolweight	485.16
Molweight	485.16
MonoisotopicMass	482.963974
CLogP	5.1922
CLogS	-6.33
H Acceptors	5
TotalSurfaceArea	316.33
Relative PSA	0.15689
PolarSurfaceArea	55.84
Druglikeness	-3.5642
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
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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