(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate

Formula:C18H14N2O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-nitrophenyl)prop-2-enoate
MolecularFormula	C18H14N2O8
Smiles	[O-][N+](c1ccc(/C=C/C(OCc2cc([N+]([O-])=O)cc3c2OCOC3)=O)cc1)=O
InChI	InChI=1S/C18H14N2O8/c21-17(6-3-12-1-4-15(5-2-12)19(22)23)27-10-14-8-16(20(24)25)7-13-9-26-11-28-18(13)14/h1-8H,9-11H2
InChIK	ONKJXAZWMHPJOH-UHFFFAOYSA-N
TotalMolweight	386.315
Molweight	386.315
MonoisotopicMass	386.075018
CLogP	0.9716
CLogS	-5.075
H Acceptors	10
TotalSurfaceArea	282.39
Relative PSA	0.36786
PolarSurfaceArea	136.4
Druglikeness	-8.1346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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