(Z)-1-(4-nitrophenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one

Formula:C20H20N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(4-nitrophenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-1-(4-nitrophenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one
MolecularFormula	C20H20N2O3
Smiles	[O-][N+](c(cc1)ccc1C(/C=C(/c1ccccc1)\N1CCCCC1)=O)=O
InChI	InChI=1S/C20H20N2O3/c23-20(17-9-11-18(12-10-17)22(24)25)15-19(16-7-3-1-4-8-16)21-13-5-2-6-14-21/h1,3-4,7-12,15H,2,5-6,13-14H2
InChIK	GTQZVEXKNHQEDI-UHFFFAOYSA-N
TotalMolweight	336.39
Molweight	336.39
MonoisotopicMass	336.147393
CLogP	3.0303
CLogS	-4.419
H Acceptors	5
TotalSurfaceArea	264.75
Relative PSA	0.17756
PolarSurfaceArea	66.13
Druglikeness	-3.1862
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
AcidicOxygens	1
StereoCon

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