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

Formula:C18H14NO6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate
MolecularFormula	C18H14NO6Cl
Smiles	[O-][N+](c1cc(COC(/C=C/c(cc2)ccc2Cl)=O)c2OCOCc2c1)=O
InChI	InChI=1S/C18H14ClNO6/c19-15-4-1-12(2-5-15)3-6-17(21)25-10-14-8-16(20(22)23)7-13-9-24-11-26-18(13)14/h1-8H,9-11H2
InChIK	HGTXLFSYPPWCIE-UHFFFAOYSA-N
TotalMolweight	375.763
Molweight	375.763
MonoisotopicMass	375.050966
CLogP	2.4992
CLogS	-5.351
H Acceptors	7
TotalSurfaceArea	274.14
Relative PSA	0.26797
PolarSurfaceArea	90.58
Druglikeness	-8.0064
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-chlorophenyl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments