(4E)-4-[[2,4-dinitro-5-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

Formula:C26H14N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[2,4-dinitro-5-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is not a drug-like molecule.

MolName	(4E)-4-[[2,4-dinitro-5-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
MolecularFormula	C26H14N4O8
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C2/N=C(c3ccccc3)OC2=O)cc1/C=C1/N=C(c2ccccc2)OC1=O)=O
InChI	InChI=1S/C26H14N4O8/c31-25-19(27-23(37-25)15-7-3-1-4-8-15)12-17-11-18(22(30(35)36)14-21(17)29(33)34)13-20-26(32)38-24(28-20)16-9-5-2-6-10-16/h1-14H
InChIK	JBPCFWUJCAIWAQ-UHFFFAOYSA-N
TotalMolweight	510.417
Molweight	510.417
MonoisotopicMass	510.081166
CLogP	1.6808
CLogS	-7.142
H Acceptors	12
TotalSurfaceArea	363.98
Relative PSA	0.357
PolarSurfaceArea	168.96
Druglikeness	-4.1696
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	20
AcidicOxygens	2
StereoCon

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1 - (4E)-4-[[2,4-dinitro-5-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4E)-4-[[2,4-dinitro-5-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

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