2-[(E)-2-(4-nitrophenyl)ethenyl]-6-[[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one

Formula:C33H20N4O8 Mutagenic:low Tumorigenic:low Reproductive Effective:none 2-[(E)-2-(4-nitrophenyl)ethenyl]-6-[[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one is not a drug-like molecule.

MolName	2-[(E)-2-(4-nitrophenyl)ethenyl]-6-[[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one
MolecularFormula	C33H20N4O8
Smiles	[O-][N+](c1ccc(/C=C/C(O2)=Nc(ccc(Cc(cc3)cc4c3N=C(/C=C/c(cc3)ccc3[N+]([O-])=O)OC4=O)c3)c3C2=O)cc1)=O
InChI	InChI=1S/C33H20N4O8/c38-32-26-18-22(5-13-28(26)34-30(44-32)15-7-20-1-9-24(10-2-20)36(40)41)17-23-6-14-29-27(19-23)33(39)45-31(35-29)16-8-21-3-11-25(12-4-21)37(42)43/h1-16,18-19H,17H2
InChIK	XCRVUJANIPDKIH-UHFFFAOYSA-N
TotalMolweight	600.542
Molweight	600.542
MonoisotopicMass	600.128116
CLogP	3.7241
CLogS	-8.437
H Acceptors	12
TotalSurfaceArea	441.08
Relative PSA	0.2946
PolarSurfaceArea	168.96
Druglikeness	-5.5385
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64444
Fragments	1
Non HAtoms	45
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	24
AcidicOxygens	2
StereoCon

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1 - 2-[(E)-2-(4-nitrophenyl)ethenyl]-6-[[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one | 2 - 2-[(E)-2-(4-nitrophenyl)ethenyl]-6-[[2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one

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