(5E)-5-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Formula:C24H15N3O6ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C24H15N3O6ClF
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(Cl)c2OCc(cc2)ccc2F)=O)C1=O)=O
InChI	InChI=1S/C24H15ClFN3O6/c25-20-12-15(3-10-21(20)35-13-14-1-4-16(26)5-2-14)11-19-22(30)27-24(32)28(23(19)31)17-6-8-18(9-7-17)29(33)34/h1-12H,13H2,(H,27,30,32)
InChIK	WTBFXOLFLDZKSU-UHFFFAOYSA-N
TotalMolweight	495.849
Molweight	495.849
MonoisotopicMass	495.063342
CLogP	3.2887
CLogS	-6.738
H Acceptors	9
H Donors	1
TotalSurfaceArea	348.2
Relative PSA	0.27154
PolarSurfaceArea	121.53
Druglikeness	-1.7666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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