2-[(E)-2-[5-[(E)-2-(2-hydroxy-6-nitrophenyl)ethenyl]-2,4-dinitrophenyl]ethenyl]-3-nitrophenol

Formula:C22H14N4O10 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[5-[(E)-2-(2-hydroxy-6-nitrophenyl)ethenyl]-2,4-dinitrophenyl]ethenyl]-3-nitrophenol is not a drug-like molecule.

MolName	2-[(E)-2-[5-[(E)-2-(2-hydroxy-6-nitrophenyl)ethenyl]-2,4-dinitrophenyl]ethenyl]-3-nitrophenol
MolecularFormula	C22H14N4O10
Smiles	[O-][N+](c1cccc(O)c1/C=C/c(c([N+]([O-])=O)c1)cc(/C=C/c(c([N+]([O-])=O)ccc2)c2O)c1[N+]([O-])=O)=O
InChI	InChI=1S/C22H14N4O10/c27-21-5-1-3-17(23(29)30)15(21)9-7-13-11-14(20(26(35)36)12-19(13)25(33)34)8-10-16-18(24(31)32)4-2-6-22(16)28/h1-12,27-28H
InChIK	DOJDRQJGHAJDSO-UHFFFAOYSA-N
TotalMolweight	494.371
Molweight	494.371
MonoisotopicMass	494.070996
CLogP	1.6958
CLogS	-7.136
H Acceptors	14
H Donors	2
TotalSurfaceArea	353.16
Relative PSA	0.41873
PolarSurfaceArea	223.74
Druglikeness	-6.8542
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.41667
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	17
AcidicOxygens	4
StereoCon

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1 - 2-[(E)-2-[5-[(E)-2-(2-hydroxy-6-nitrophenyl)ethenyl]-2,4-dinitrophenyl]ethenyl]-3-nitrophenol | 2 - 2-[(E)-2-[5-[(E)-2-(2-hydroxy-6-nitrophenyl)ethenyl]-2,4-dinitrophenyl]ethenyl]-3-nitrophenol

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