(E)-2,4-dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxo-1,3-diazinan-5-yl)hex-5-enamide

Formula:C16H10N3O6Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-2,4-dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxo-1,3-diazinan-5-yl)hex-5-enamide is a drug-like molecule.

MolName	(E)-2,4-dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxo-1,3-diazinan-5-yl)hex-5-enamide
MolecularFormula	C16H10N3O6Cl3
Smiles	O=C(CC(C(Nc(c(Cl)c1)cc(Cl)c1Cl)=O)=O)/C=C/C(C(NC(N1)=O)=O)C1=O
InChI	InChI=1S/C16H10Cl3N3O6/c17-8-4-10(19)11(5-9(8)18)20-15(27)12(24)3-6(23)1-2-7-13(25)21-16(28)22-14(7)26/h1-2,4-5,7H,3H2,(H,20,27)(H2,21,22,25,26,28)
InChIK	IWIVOMPOQUWQBO-UHFFFAOYSA-N
TotalMolweight	446.629
Molweight	446.629
MonoisotopicMass	444.963518
CLogP	1.0473
CLogS	-4.778
H Acceptors	9
H Donors	3
TotalSurfaceArea	299.66
Relative PSA	0.37583
PolarSurfaceArea	138.51
Druglikeness	-6.0201
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	3
Amides	3
StereoCon

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1 - (E)-2,4-dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxo-1,3-diazinan-5-yl)hex-5-enamide | 2 - (E)-2,4-dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxo-1,3-diazinan-5-yl)hex-5-enamide

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