(5E)-1-(4-chlorophenyl)-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C25H18N3O7Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-chlorophenyl)-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-(4-chlorophenyl)-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C25H18N3O7Cl
Smiles	[O-][N+](c(cc1)ccc1OCCOc1cccc(/C=C(\C(NC(N2c(cc3)ccc3Cl)=O)=O)/C2=O)c1)=O
InChI	InChI=1S/C25H18ClN3O7/c26-17-4-6-18(7-5-17)28-24(31)22(23(30)27-25(28)32)15-16-2-1-3-21(14-16)36-13-12-35-20-10-8-19(9-11-20)29(33)34/h1-11,14-15H,12-13H2,(H,27,30,32)
InChIK	SUVCEJWSQPVDHZ-UHFFFAOYSA-N
TotalMolweight	507.885
Molweight	507.885
MonoisotopicMass	507.083329
CLogP	3.1948
CLogS	-6.351
H Acceptors	10
H Donors	1
TotalSurfaceArea	365.61
Relative PSA	0.28596
PolarSurfaceArea	130.76
Druglikeness	-7.3066
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - (5E)-1-(4-chlorophenyl)-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-(4-chlorophenyl)-5-[[3-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

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