(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C19H15NO8 Mutagenic:none Tumorigenic:none Reproductive Effective:high (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C19H15NO8
Smiles	[O-][N+](c(cc1COC(/C=C/c(cc2)cc3c2OCO3)=O)cc2c1OCOC2)=O
InChI	InChI=1S/C19H15NO8/c21-18(4-2-12-1-3-16-17(5-12)27-11-26-16)25-9-14-7-15(20(22)23)6-13-8-24-10-28-19(13)14/h1-7H,8-11H2
InChIK	QCYFBPSYJCFFBP-UHFFFAOYSA-N
TotalMolweight	385.327
Molweight	385.327
MonoisotopicMass	385.079769
CLogP	2.0046
CLogS	-5.326
H Acceptors	9
TotalSurfaceArea	278.98
Relative PSA	0.33501
PolarSurfaceArea	109.04
Druglikeness	-8.1346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate | 2 - (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Request More Details | (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments