1,3-dibromo-5-[(E)-2-nitroethenyl]-2-[(3-nitrophenyl)methoxy]benzene

Formula:C15H10N2O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,3-dibromo-5-[(E)-2-nitroethenyl]-2-[(3-nitrophenyl)methoxy]benzene is a drug-like molecule.

MolName	1,3-dibromo-5-[(E)-2-nitroethenyl]-2-[(3-nitrophenyl)methoxy]benzene
MolecularFormula	C15H10N2O5Br2
Smiles	[O-][N+](/C=C/c(cc1Br)cc(Br)c1OCc1cc([N+]([O-])=O)ccc1)=O
InChI	InChI=1S/C15H10Br2N2O5/c16-13-7-10(4-5-18(20)21)8-14(17)15(13)24-9-11-2-1-3-12(6-11)19(22)23/h1-8H,9H2
InChIK	RIXMXIRYZMQABU-UHFFFAOYSA-N
TotalMolweight	458.061
Molweight	458.061
MonoisotopicMass	455.895645
CLogP	2.6467
CLogS	-6.095
H Acceptors	7
TotalSurfaceArea	267.88
Relative PSA	0.26445
PolarSurfaceArea	100.87
Druglikeness	-8.9321
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	3
AcidicOxygens	2
StereoCon

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