[(1E,3Z)-4-bromo-4-nitrobuta-1,3-dienyl]benzene

Formula:C10H8NO2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [(1E,3Z)-4-bromo-4-nitrobuta-1,3-dienyl]benzene is a drug-like molecule.

MolName	[(1E,3Z)-4-bromo-4-nitrobuta-1,3-dienyl]benzene
MolecularFormula	C10H8NO2Br
Smiles	[O-][N+](/C(/Br)=C/C=C/c1ccccc1)=O
InChI	InChI=1S/C10H8BrNO2/c11-10(12(13)14)8-4-7-9-5-2-1-3-6-9/h1-8H
InChIK	YAXZUULJYDZGSB-UHFFFAOYSA-N
TotalMolweight	254.083
Molweight	254.083
MonoisotopicMass	252.97384
CLogP	2.6109
CLogS	-3.837
H Acceptors	3
TotalSurfaceArea	166.77
Relative PSA	0.18241
PolarSurfaceArea	45.82
Druglikeness	-9.8306
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	14
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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