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

Formula:C31H20N2O3Cl2 Mutagenic:none Tumorigenic:low Reproductive Effective:high (2Z,4E)-3,7-bis(4-chlorophenyl)-2-(4-nitrophenyl)-7-oxo-5-phenylhepta-2,4-dienenitrile is not a drug-like molecule.

MolName	(2Z,4E)-3,7-bis(4-chlorophenyl)-2-(4-nitrophenyl)-7-oxo-5-phenylhepta-2,4-dienenitrile
MolecularFormula	C31H20N2O3Cl2
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C(/C=C(\CC(c(cc1)ccc1Cl)=O)/c1ccccc1)\c(cc1)ccc1Cl
InChI	InChI=1S/C31H20Cl2N2O3/c32-26-12-6-22(7-13-26)29(30(20-34)23-10-16-28(17-11-23)35(37)38)18-25(21-4-2-1-3-5-21)19-31(36)24-8-14-27(33)15-9-24/h1-18H,19H2
InChIK	UNLZWHHCRAWVBD-UHFFFAOYSA-N
TotalMolweight	539.417
Molweight	539.417
MonoisotopicMass	538.085097
CLogP	6.8448
CLogS	-8.145
H Acceptors	5
TotalSurfaceArea	407.9
Relative PSA	0.13979
PolarSurfaceArea	86.68
Druglikeness	-9.2706
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
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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