(E)-1-(3-azabicyclo[3.2.2]nonan-3-yl)-3-phenylprop-2-en-1-one

Formula:C17H21NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3-azabicyclo[3.2.2]nonan-3-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3-azabicyclo[3.2.2]nonan-3-yl)-3-phenylprop-2-en-1-one
MolecularFormula	C17H21NO
Smiles	O=C(/C=C/c1ccccc1)N1CC(CC2)CCC2C1
InChI	InChI=1S/C17H21NO/c19-17(11-10-14-4-2-1-3-5-14)18-12-15-6-7-16(13-18)9-8-15/h1-5,10-11,15-16H,6-9,12-13H2
InChIK	XLSCFYZYWNYHKG-UHFFFAOYSA-N
TotalMolweight	255.36
Molweight	255.36
MonoisotopicMass	255.162314
CLogP	3.4145
CLogS	-3.261
H Acceptors	2
TotalSurfaceArea	208.37
Relative PSA	0.079618
PolarSurfaceArea	20.31
Druglikeness	1.698
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	2
Rings Closures	3
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	7
Amides	1
StereoCon

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