2-chloro-4-[(E)-2-(3-chloro-4-nitrophenyl)ethenyl]-1-nitrobenzene

Formula:C14H8N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-4-[(E)-2-(3-chloro-4-nitrophenyl)ethenyl]-1-nitrobenzene is a drug-like molecule.

MolName	2-chloro-4-[(E)-2-(3-chloro-4-nitrophenyl)ethenyl]-1-nitrobenzene
MolecularFormula	C14H8N2O4Cl2
Smiles	[O-][N+](c(ccc(/C=C/c(cc1)cc(Cl)c1[N+]([O-])=O)c1)c1Cl)=O
InChI	InChI=1S/C14H8Cl2N2O4/c15-11-7-9(3-5-13(11)17(19)20)1-2-10-4-6-14(18(21)22)12(16)8-10/h1-8H
InChIK	IUKZQSWBDDBJIM-UHFFFAOYSA-N
TotalMolweight	339.134
Molweight	339.134
MonoisotopicMass	337.986112
CLogP	3.2354
CLogS	-6.144
H Acceptors	6
TotalSurfaceArea	237.7
Relative PSA	0.25595
PolarSurfaceArea	91.64
Druglikeness	-6.7742
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	11
AcidicOxygens	2
StereoCon

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