(2E,4E)-5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one

Formula:C16H19NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one is a drug-like molecule.

MolName	(2E,4E)-5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
MolecularFormula	C16H19NO
Smiles	O=C(/C=C/C=C/c1ccccc1)N1CCCCC1
InChI	InChI=1S/C16H19NO/c18-16(17-13-7-2-8-14-17)12-6-5-11-15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIK	VNWDZNZLPSUNTD-UHFFFAOYSA-N
TotalMolweight	241.333
Molweight	241.333
MonoisotopicMass	241.146664
CLogP	3.4837
CLogS	-2.897
H Acceptors	2
TotalSurfaceArea	209.61
Relative PSA	0.079147
PolarSurfaceArea	20.31
Druglikeness	0.54012
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	18
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	4
Amides	1
StereoCon

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