1,5-bis[(E)-2-(2-chlorophenyl)ethenyl]-2,4-dinitrobenzene

Formula:C22H14N2O4Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 1,5-bis[(E)-2-(2-chlorophenyl)ethenyl]-2,4-dinitrobenzene is not a drug-like molecule.

MolName	1,5-bis[(E)-2-(2-chlorophenyl)ethenyl]-2,4-dinitrobenzene
MolecularFormula	C22H14N2O4Cl2
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C/c(cccc2)c2Cl)cc1/C=C/c(cccc1)c1Cl)=O
InChI	InChI=1S/C22H14Cl2N2O4/c23-19-7-3-1-5-15(19)9-11-17-13-18(12-10-16-6-2-4-8-20(16)24)22(26(29)30)14-21(17)25(27)28/h1-14H
InChIK	ZOBSHOPXQIJEGN-UHFFFAOYSA-N
TotalMolweight	441.269
Molweight	441.269
MonoisotopicMass	440.033062
CLogP	5.4424
CLogS	-8.28
H Acceptors	6
TotalSurfaceArea	323.96
Relative PSA	0.1878
PolarSurfaceArea	91.64
Druglikeness	-6.7742
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	14
AcidicOxygens	2
StereoCon

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