1,5-dinitro-2,4-bis[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene

Formula:C36H28N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,5-dinitro-2,4-bis[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene is not a drug-like molecule.

MolName	1,5-dinitro-2,4-bis[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene
MolecularFormula	C36H28N2O6
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C/c2cc(OCc3ccccc3)ccc2)cc1/C=C/c1cc(OCc2ccccc2)ccc1)=O
InChI	InChI=1S/C36H28N2O6/c39-37(40)35-24-36(38(41)42)32(20-18-28-14-8-16-34(22-28)44-26-30-11-5-2-6-12-30)23-31(35)19-17-27-13-7-15-33(21-27)43-25-29-9-3-1-4-10-29/h1-24H,25-26H2
InChIK	ZBBKRYQXGLTDAZ-UHFFFAOYSA-N
TotalMolweight	584.626
Molweight	584.626
MonoisotopicMass	584.194738
CLogP	6.9266
CLogS	-9.49
H Acceptors	8
TotalSurfaceArea	460.16
Relative PSA	0.17568
PolarSurfaceArea	110.1
Druglikeness	-7.0059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56818
Fragments	1
Non HAtoms	44
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	12
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Sp3Atoms	6
Symmetricatoms	23
AcidicOxygens	2
StereoCon

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