[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3-nitrobenzoate

Formula:C24H15NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3-nitrobenzoate is a drug-like molecule.

MolName	[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3-nitrobenzoate
MolecularFormula	C24H15NO6
Smiles	[O-][N+](c1cc(C(Oc(cc2)cc(O/C3=C\C=C\c4ccccc4)c2C3=O)=O)ccc1)=O
InChI	InChI=1S/C24H15NO6/c26-23-20-13-12-19(30-24(27)17-9-5-10-18(14-17)25(28)29)15-22(20)31-21(23)11-4-8-16-6-2-1-3-7-16/h1-15H
InChIK	ZQGCYTXRKMVRAX-UHFFFAOYSA-N
TotalMolweight	413.384
Molweight	413.384
MonoisotopicMass	413.089939
CLogP	4.4841
CLogS	-6.384
H Acceptors	7
TotalSurfaceArea	309.66
Relative PSA	0.24705
PolarSurfaceArea	98.42
Druglikeness	-4.7607
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3-nitrobenzoate | 2 - [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3-nitrobenzoate

Request More Details | [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 3-nitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments