5-[(E)-2-[4-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitrophenyl]sulfonyl-2-nitrophenyl]ethenyl]-1,3-benzodioxole

Formula:C30H20N2O10S Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[(E)-2-[4-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitrophenyl]sulfonyl-2-nitrophenyl]ethenyl]-1,3-benzodioxole is not a drug-like molecule.

MolName	5-[(E)-2-[4-[4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-nitrophenyl]sulfonyl-2-nitrophenyl]ethenyl]-1,3-benzodioxole
MolecularFormula	C30H20N2O10S
Smiles	[O-][N+](c1c(/C=C/c(cc2)cc3c2OCO3)ccc(S(c2cc([N+]([O-])=O)c(/C=C/c(cc3)cc4c3OCO4)cc2)(=O)=O)c1)=O
InChI	InChI=1S/C30H20N2O10S/c33-31(34)25-15-23(9-7-21(25)5-1-19-3-11-27-29(13-19)41-17-39-27)43(37,38)24-10-8-22(26(16-24)32(35)36)6-2-20-4-12-28-30(14-20)42-18-40-28/h1-16H,17-18H2
InChIK	ONQQLMBQTBGCDY-UHFFFAOYSA-N
TotalMolweight	600.559
Molweight	600.559
MonoisotopicMass	600.083868
CLogP	5.1584
CLogS	-9.766
H Acceptors	12
TotalSurfaceArea	421.98
Relative PSA	0.3067
PolarSurfaceArea	171.08
Druglikeness	-8.0361
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53488
Fragments	1
Non HAtoms	43
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	9
Symmetricatoms	21
AcidicOxygens	2
StereoCon

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