[(1Z,3Z)-4-bromo-2,4-dinitro-3-phenylbuta-1,3-dienyl]benzene

Formula:C16H11N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:low [(1Z,3Z)-4-bromo-2,4-dinitro-3-phenylbuta-1,3-dienyl]benzene is a drug-like molecule.

MolName	[(1Z,3Z)-4-bromo-2,4-dinitro-3-phenylbuta-1,3-dienyl]benzene
MolecularFormula	C16H11N2O4Br
Smiles	[O-][N+](/C(/C(/c1ccccc1)=C(/[N+]([O-])=O)\Br)=C\c1ccccc1)=O
InChI	InChI=1S/C16H11BrN2O4/c17-16(19(22)23)15(13-9-5-2-6-10-13)14(18(20)21)11-12-7-3-1-4-8-12/h1-11H
InChIK	AMJSDWFVTLSWMP-UHFFFAOYSA-N
TotalMolweight	375.177
Molweight	375.177
MonoisotopicMass	373.990219
CLogP	3.1759
CLogS	-5.152
H Acceptors	6
TotalSurfaceArea	246.62
Relative PSA	0.2467
PolarSurfaceArea	91.64
Druglikeness	-9.3594
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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