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C22H16N2O4 | Cheminformatics
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1-nitro-3-[(E)-2-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]ethenyl]benzene

Molecular Formula : C22H16N2O4 | Mutagenic : low | Tumorigenic : none | Reproductive Effective : none |
1-nitro-3-[(E)-2-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]ethenyl]benzene is a drug-like molecule.

MolName : 1-nitro-3-[(E)-2-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]ethenyl]benzene

MolecularFormula : C22H16N2O4

Smiles : [O-][N+](c1cccc(/C=C/c2ccc(/C=C/c3cccc([N+]([O-])=O)c3)cc2)c1)=O

InChI : InChI=1S/C22H16N2O4/c25-23(26)21-5-1-3-19(15-21)13-11-17-7-9-18(10-8-17)12-14-20-4-2-6-22(16-20)24(27)28/h1-16H

InChIK : YTQOMLMBZLHCIF-UHFFFAOYSA-N

TotalMolweight : 372.379

Molweight : 372.379

MonoisotopicMass : 372.111008

CLogP : 4.2304

CLogS : -6.808

H Acceptors : 6

TotalSurfaceArea : 293.12

Relative PSA : 0.20756

PolarSurfaceArea : 91.64

Druglikeness : -6.9544

Mutagenic : low

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.64286

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 2

Symmetricatoms : 15

AcidicOxygens : 2

StereoCon :

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1 - 1-nitro-3-[(E)-2-[4-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
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