9,10-bis[(E)-2-(3-nitrophenyl)ethenyl]anthracene

Formula:C30H20N2O4 Mutagenic:low Tumorigenic:high Reproductive Effective:none 9,10-bis[(E)-2-(3-nitrophenyl)ethenyl]anthracene is not a drug-like molecule.

MolName	9,10-bis[(E)-2-(3-nitrophenyl)ethenyl]anthracene
MolecularFormula	C30H20N2O4
Smiles	[O-][N+](c1cccc(/C=C/c2c(cccc3)c3c(/C=C/c3cccc([N+]([O-])=O)c3)c3ccccc23)c1)=O
InChI	InChI=1S/C30H20N2O4/c33-31(34)23-9-5-7-21(19-23)15-17-29-25-11-1-2-12-26(25)30(28-14-4-3-13-27(28)29)18-16-22-8-6-10-24(20-22)32(35)36/h1-20H
InChIK	UMWNRCJSVVKDRZ-UHFFFAOYSA-N
TotalMolweight	472.499
Molweight	472.499
MonoisotopicMass	472.142308
CLogP	6.6192
CLogS	-10.02
H Acceptors	6
TotalSurfaceArea	362.32
Relative PSA	0.16792
PolarSurfaceArea	91.64
Druglikeness	-6.9544
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	2
Symmetricatoms	21
AcidicOxygens	2
StereoCon

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