(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Formula:C18H21N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is a drug-like molecule.

MolName	(2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
MolecularFormula	C18H21N3O4
Smiles	[O-][N+](c(cc1)cc(/C=C2/N(CC3)CCC3C2=O)c1N1CCOCC1)=O
InChI	InChI=1S/C18H21N3O4/c22-18-13-3-5-19(6-4-13)17(18)12-14-11-15(21(23)24)1-2-16(14)20-7-9-25-10-8-20/h1-2,11-13H,3-10H2
InChIK	KWWHXKRSBUICBO-UHFFFAOYSA-N
TotalMolweight	343.382
Molweight	343.382
MonoisotopicMass	343.153207
CLogP	0.2262
CLogS	-3.232
H Acceptors	7
TotalSurfaceArea	252.07
Relative PSA	0.24025
PolarSurfaceArea	78.6
Druglikeness	-0.36673
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	13
Symmetricatoms	4
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - (2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one | 2 - (2E)-2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

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