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3-[(2Z)-2-(4-nitrophenyl)-2-[(E)-[1-(4-nitrophenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]hydrazinylidene]ethyl]-3H-2-benzofuran-1-one

Formula:C32H22N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2Z)-2-(4-nitrophenyl)-2-[(E)-[1-(4-nitrophenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]hydrazinylidene]ethyl]-3H-2-benzofuran-1-one is not a drug-like molecule.
MolName3-[(2Z)-2-(4-nitrophenyl)-2-[(E)-[1-(4-nitrophenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]hydrazinylidene]ethyl]-3H-2-benzofuran-1-one
MolecularFormulaC32H22N4O8
Smiles[O-][N+](c(cc1)ccc1/C(/CC(c1c2cccc1)OC2=O)=N/N=C(/CC(c1c2cccc1)OC2=O)\c(cc1)ccc1[N+]([O-])=O)=O
InChIInChI=1S/C32H22N4O8/c37-31-25-7-3-1-5-23(25)29(43-31)17-27(19-9-13-21(14-10-19)35(39)40)33-34-28(20-11-15-22(16-12-20)36(41)42)18-30-24-6-2-4-8-26(24)32(38)44-30/h1-16,29-30H,17-18H2
InChIKUNXIQXFQZXIADY-UHFFFAOYSA-N
TotalMolweight590.547
Molweight590.547
MonoisotopicMass590.143766
CLogP4.8688
CLogS-8.474
H Acceptors12
TotalSurfaceArea426.84
Relative PSA0.30442
PolarSurfaceArea168.96
Druglikeness-4.3295
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro; dimethylene-hydrazine
Shape Index0.36364
Fragments1
Non HAtoms44
NonCHAtoms12
Electronegative Atoms12
StereoCenters2
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms4
AcidicOxygens2
StereoConunknown chirality

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