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

Formula:C24H16N2O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-[5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-2,4-dinitrophenyl]ethenyl]-1,3-benzodioxole is a drug-like molecule.

MolName	4-[(E)-2-[5-[(E)-2-(1,3-benzodioxol-4-yl)ethenyl]-2,4-dinitrophenyl]ethenyl]-1,3-benzodioxole
MolecularFormula	C24H16N2O8
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(/C=C/c2c3OCOc3ccc2)cc1/C=C/c1c2OCOc2ccc1)=O
InChI	InChI=1S/C24H16N2O8/c27-25(28)19-12-20(26(29)30)18(10-8-16-4-2-6-22-24(16)34-14-32-22)11-17(19)9-7-15-3-1-5-21-23(15)33-13-31-21/h1-12H,13-14H2
InChIK	JWWKSWHNXWATAH-UHFFFAOYSA-N
TotalMolweight	460.397
Molweight	460.397
MonoisotopicMass	460.090668
CLogP	4.4532
CLogS	-8.23
H Acceptors	10
TotalSurfaceArea	333.64
Relative PSA	0.30224
PolarSurfaceArea	128.56
Druglikeness	-6.8255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	16
AcidicOxygens	2
StereoCon

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