1-[(1E,5E)-2,5-dinitro-6-(4-nitrophenyl)hexa-1,5-dienyl]-4-nitrobenzene

Formula:C18H14N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(1E,5E)-2,5-dinitro-6-(4-nitrophenyl)hexa-1,5-dienyl]-4-nitrobenzene is not a drug-like molecule.

MolName	1-[(1E,5E)-2,5-dinitro-6-(4-nitrophenyl)hexa-1,5-dienyl]-4-nitrobenzene
MolecularFormula	C18H14N4O8
Smiles	[O-][N+](/C(/CC/C(/[N+]([O-])=O)=C\c(cc1)ccc1[N+]([O-])=O)=C/c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C18H14N4O8/c23-19(24)15-5-1-13(2-6-15)11-17(21(27)28)9-10-18(22(29)30)12-14-3-7-16(8-4-14)20(25)26/h1-8,11-12H,9-10H2
InChIK	FGMRRTYPNHDBPB-UHFFFAOYSA-N
TotalMolweight	414.329
Molweight	414.329
MonoisotopicMass	414.081166
CLogP	2.0452
CLogS	-6.24
H Acceptors	12
TotalSurfaceArea	304.64
Relative PSA	0.39942
PolarSurfaceArea	183.28
Druglikeness	-7.5553
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	17
AcidicOxygens	4
StereoCon

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1 - 1-[(1E,5E)-2,5-dinitro-6-(4-nitrophenyl)hexa-1,5-dienyl]-4-nitrobenzene | 2 - 1-[(1E,5E)-2,5-dinitro-6-(4-nitrophenyl)hexa-1,5-dienyl]-4-nitrobenzene

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