4-bromo-2-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene

Formula:C15H11N2O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-bromo-2-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene is a drug-like molecule.

MolName	4-bromo-2-[(E)-2-nitroethenyl]-1-[(3-nitrophenyl)methoxy]benzene
MolecularFormula	C15H11N2O5Br
Smiles	[O-][N+](/C=C/c(cc(cc1)Br)c1OCc1cc([N+]([O-])=O)ccc1)=O
InChI	InChI=1S/C15H11BrN2O5/c16-13-4-5-15(12(9-13)6-7-17(19)20)23-10-11-2-1-3-14(8-11)18(21)22/h1-9H,10H2
InChIK	JOTKHSZJMJOPBL-UHFFFAOYSA-N
TotalMolweight	379.165
Molweight	379.165
MonoisotopicMass	377.985134
CLogP	1.9215
CLogS	-5.261
H Acceptors	7
TotalSurfaceArea	249.25
Relative PSA	0.28421
PolarSurfaceArea	100.87
Druglikeness	-8.9321
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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