2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene

Formula:C16H11NO2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene is a drug-like molecule.

MolName	2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
MolecularFormula	C16H11NO2Cl2
Smiles	[O-][N+](c1ccc(/C=C/C=C/c(ccc(Cl)c2)c2Cl)cc1)=O
InChI	InChI=1S/C16H11Cl2NO2/c17-14-8-7-13(16(18)11-14)4-2-1-3-12-5-9-15(10-6-12)19(20)21/h1-11H
InChIK	MEJQVOQXTSNJPP-UHFFFAOYSA-N
TotalMolweight	320.174
Molweight	320.174
MonoisotopicMass	319.016683
CLogP	4.8136
CLogS	-5.996
H Acceptors	3
TotalSurfaceArea	240.53
Relative PSA	0.12647
PolarSurfaceArea	45.82
Druglikeness	-6.3762
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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