1-[(E)-1,2-dibromo-2-(2-nitrophenyl)ethenyl]-2-nitrobenzene

Formula:C14H8N2O4Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-[(E)-1,2-dibromo-2-(2-nitrophenyl)ethenyl]-2-nitrobenzene is a drug-like molecule.

MolName	1-[(E)-1,2-dibromo-2-(2-nitrophenyl)ethenyl]-2-nitrobenzene
MolecularFormula	C14H8N2O4Br2
Smiles	[O-][N+](c(cccc1)c1/C(/Br)=C(/c(cccc1)c1[N+]([O-])=O)\Br)=O
InChI	InChI=1S/C14H8Br2N2O4/c15-13(9-5-1-3-7-11(9)17(19)20)14(16)10-6-2-4-8-12(10)18(21)22/h1-8H
InChIK	LJHPXTLMARIPGY-UHFFFAOYSA-N
TotalMolweight	428.036
Molweight	428.036
MonoisotopicMass	425.88508
CLogP	2.8428
CLogS	-3.254
H Acceptors	6
TotalSurfaceArea	240.54
Relative PSA	0.25293
PolarSurfaceArea	91.64
Druglikeness	-12.317
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; 1,2-dihalo-alkene
Shape Index	0.45455
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	11
AcidicOxygens	2
StereoCon

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