(2E)-2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one

Formula:C28H27NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one is not a drug-like molecule.

MolName	(2E)-2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one
MolecularFormula	C28H27NO3
Smiles	O=C(C1CCN2CC1)/C2=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1
InChI	InChI=1S/C28H27NO3/c30-28-24-13-15-29(16-14-24)25(28)17-23-11-12-26(31-19-21-7-3-1-4-8-21)27(18-23)32-20-22-9-5-2-6-10-22/h1-12,17-18,24H,13-16,19-20H2
InChIK	RKAOPLBUCFQQNR-UHFFFAOYSA-N
TotalMolweight	425.526
Molweight	425.526
MonoisotopicMass	425.199094
CLogP	5.1015
CLogS	-5.351
H Acceptors	4
TotalSurfaceArea	333.6
Relative PSA	0.10968
PolarSurfaceArea	38.77
Druglikeness	5.3445
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	5
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - (2E)-2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one | 2 - (2E)-2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one

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