(5E)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione

Formula:C24H11N3O6Cl3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C24H11N3O6Cl3F3
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1Oc(ccc(/C=C(\C(NC(N1c(ccc(Cl)c2)c2Cl)=O)=O)/C1=O)c1)c1Cl)=O
InChI	InChI=1S/C24H11Cl3F3N3O6/c25-13-3-4-17(15(26)10-13)32-22(35)14(21(34)31-23(32)36)7-11-1-5-19(16(27)8-11)39-20-6-2-12(24(28,29)30)9-18(20)33(37)38/h1-10H,(H,31,34,36)
InChIK	GGVVUPJOENQZAE-UHFFFAOYSA-N
TotalMolweight	600.719
Molweight	600.719
MonoisotopicMass	598.966552
CLogP	5.2957
CLogS	-9.63
H Acceptors	9
H Donors	1
TotalSurfaceArea	388.39
Relative PSA	0.24344
PolarSurfaceArea	121.53
Druglikeness	-7.4809
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - (5E)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1-(2,4-dichlorophenyl)-1,3-diazinane-2,4,6-trione

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