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

Formula:C24H16N3O6F Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C24H16N3O6F
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)ccc2OCc(cccc2)c2F)=O)C1=O)=O
InChI	InChI=1S/C24H16FN3O6/c25-21-4-2-1-3-16(21)14-34-19-11-5-15(6-12-19)13-20-22(29)26-24(31)27(23(20)30)17-7-9-18(10-8-17)28(32)33/h1-13H,14H2,(H,26,29,31)
InChIK	YVUURMPJESQIFD-UHFFFAOYSA-N
TotalMolweight	461.404
Molweight	461.404
MonoisotopicMass	461.102315
CLogP	2.6827
CLogS	-6.002
H Acceptors	9
H Donors	1
TotalSurfaceArea	332.78
Relative PSA	0.28412
PolarSurfaceArea	121.53
Druglikeness	-1.8302
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
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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