(2Z,4E)-5-(4-chlorophenyl)-2-(4-nitrophenyl)-7-oxo-3,7-diphenylhepta-2,4-dienenitrile

Formula:C31H21N2O3Cl Mutagenic:none Tumorigenic:low Reproductive Effective:high (2Z,4E)-5-(4-chlorophenyl)-2-(4-nitrophenyl)-7-oxo-3,7-diphenylhepta-2,4-dienenitrile is not a drug-like molecule.

MolName	(2Z,4E)-5-(4-chlorophenyl)-2-(4-nitrophenyl)-7-oxo-3,7-diphenylhepta-2,4-dienenitrile
MolecularFormula	C31H21N2O3Cl
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C(/C=C(\CC(c1ccccc1)=O)/c(cc1)ccc1Cl)\c1ccccc1
InChI	InChI=1S/C31H21ClN2O3/c32-27-15-11-22(12-16-27)26(20-31(35)25-9-5-2-6-10-25)19-29(23-7-3-1-4-8-23)30(21-33)24-13-17-28(18-14-24)34(36)37/h1-19H,20H2
InChIK	LRFDSPRXRVHFMM-UHFFFAOYSA-N
TotalMolweight	504.972
Molweight	504.972
MonoisotopicMass	504.12407
CLogP	6.2388
CLogS	-7.409
H Acceptors	5
TotalSurfaceArea	392.48
Relative PSA	0.14528
PolarSurfaceArea	86.68
Druglikeness	-9.2706
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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1 - (2Z,4E)-5-(4-chlorophenyl)-2-(4-nitrophenyl)-7-oxo-3,7-diphenylhepta-2,4-dienenitrile | 2 - (2Z,4E)-5-(4-chlorophenyl)-2-(4-nitrophenyl)-7-oxo-3,7-diphenylhepta-2,4-dienenitrile

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