4-[(E)-2-[4-[(E)-2-(4-cyano-2-nitrophenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzonitrile

Formula:C24H14N4O4 Mutagenic:low Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[4-[(E)-2-(4-cyano-2-nitrophenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzonitrile is a drug-like molecule.

MolName	4-[(E)-2-[4-[(E)-2-(4-cyano-2-nitrophenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzonitrile
MolecularFormula	C24H14N4O4
Smiles	N#Cc1cc([N+]([O-])=O)c(/C=C/c2ccc(/C=C/c(ccc(C#N)c3)c3[N+]([O-])=O)cc2)cc1
InChI	InChI=1S/C24H14N4O4/c25-15-19-7-11-21(23(13-19)27(29)30)9-5-17-1-2-18(4-3-17)6-10-22-12-8-20(16-26)14-24(22)28(31)32/h1-14H
InChIK	OMBKGCHLHBHHMG-UHFFFAOYSA-N
TotalMolweight	422.399
Molweight	422.399
MonoisotopicMass	422.101506
CLogP	3.9016
CLogS	-8.354
H Acceptors	8
TotalSurfaceArea	336.54
Relative PSA	0.26137
PolarSurfaceArea	139.22
Druglikeness	-10.941
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	17
AcidicOxygens	2
StereoCon

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