(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Formula:C19H14NO6F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
MolecularFormula	C19H14NO6F3
Smiles	[O-][N+](c1cc(COC(/C=C/c2cccc(C(F)(F)F)c2)=O)c2OCOCc2c1)=O
InChI	InChI=1S/C19H14F3NO6/c20-19(21,22)15-3-1-2-12(6-15)4-5-17(24)28-10-14-8-16(23(25)26)7-13-9-27-11-29-18(13)14/h1-8H,9-11H2
InChIK	VTMFPXBGOSWFJF-UHFFFAOYSA-N
TotalMolweight	409.315
Molweight	409.315
MonoisotopicMass	409.077323
CLogP	2.7415
CLogS	-5.393
H Acceptors	7
TotalSurfaceArea	288.18
Relative PSA	0.25491
PolarSurfaceArea	90.58
Druglikeness	-15.325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
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	1
StereoCon

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