1,5-bis[(Z)-2-chloro-2-phenylethenyl]-2,4-dinitrobenzene

Formula:C22H14N2O4Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 1,5-bis[(Z)-2-chloro-2-phenylethenyl]-2,4-dinitrobenzene is a drug-like molecule.

MolName	1,5-bis[(Z)-2-chloro-2-phenylethenyl]-2,4-dinitrobenzene
MolecularFormula	C22H14N2O4Cl2
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C(/c2ccccc2)\Cl)cc1/C=C(/c1ccccc1)\Cl)=O
InChI	InChI=1S/C22H14Cl2N2O4/c23-19(15-7-3-1-4-8-15)12-17-11-18(13-20(24)16-9-5-2-6-10-16)22(26(29)30)14-21(17)25(27)28/h1-14H
InChIK	PBRPOONQQCXZRL-UHFFFAOYSA-N
TotalMolweight	441.269
Molweight	441.269
MonoisotopicMass	440.033062
CLogP	4.7878
CLogS	-5.106
H Acceptors	6
TotalSurfaceArea	320.38
Relative PSA	0.1899
PolarSurfaceArea	91.64
Druglikeness	-6.1312
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride; 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	16
AcidicOxygens	2
StereoCon

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