(E)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one

Formula:C20H21NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
MolecularFormula	C20H21NO
Smiles	O=C(/C=C(\c1ccccc1)/N1CCCCC1)c1ccccc1
InChI	InChI=1S/C20H21NO/c22-20(18-12-6-2-7-13-18)16-19(17-10-4-1-5-11-17)21-14-8-3-9-15-21/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIK	WXQOXQQWEANKJI-UHFFFAOYSA-N
TotalMolweight	291.393
Molweight	291.393
MonoisotopicMass	291.162314
CLogP	3.9519
CLogS	-3.959
H Acceptors	2
TotalSurfaceArea	241.08
Relative PSA	0.068815
PolarSurfaceArea	20.31
Druglikeness	1.9403
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
StereoCon

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