4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine

Formula:C20H19N2O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine is a drug-like molecule.

MolName	4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine
MolecularFormula	C20H19N2O5F
Smiles	[O-][N+](c(cc1)cc(C2N3CCOCC3)c1O/C2=C\COc(cc1)ccc1F)=O
InChI	InChI=1S/C20H19FN2O5/c21-14-1-4-16(5-2-14)27-10-7-19-20(22-8-11-26-12-9-22)17-13-15(23(24)25)3-6-18(17)28-19/h1-7,13,20H,8-12H2/t20-/m1/s1
InChIK	KMVDMQZVRNHJDE-HXUWFJFHSA-N
TotalMolweight	386.378
Molweight	386.378
MonoisotopicMass	386.127801
CLogP	1.4876
CLogS	-3.606
H Acceptors	7
TotalSurfaceArea	282.35
Relative PSA	0.22656
PolarSurfaceArea	76.75
Druglikeness	-4.5993
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine | 2 - 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine

Request More Details | 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments