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

Formula:C24H17N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(4-nitrophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(4-nitrophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C24H17N3O6
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)ccc2OCc2ccccc2)=O)C1=O)=O
InChI	InChI=1S/C24H17N3O6/c28-22-21(14-16-6-12-20(13-7-16)33-15-17-4-2-1-3-5-17)23(29)26(24(30)25-22)18-8-10-19(11-9-18)27(31)32/h1-14H,15H2,(H,25,28,30)
InChIK	WNXLOHNYKSMDHN-UHFFFAOYSA-N
TotalMolweight	443.414
Molweight	443.414
MonoisotopicMass	443.111737
CLogP	2.5819
CLogS	-5.688
H Acceptors	9
H Donors	1
TotalSurfaceArea	326.43
Relative PSA	0.28965
PolarSurfaceArea	121.53
Druglikeness	-0.49023
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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