(E)-1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-thiophen-2-ylprop-2-en-1-one

Formula:C25H22N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(4-benzoylpiperidin-1-yl)-3-nitrophenyl]-3-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C25H22N2O4S
Smiles	[O-][N+](c(cc(cc1)C(/C=C/c2cccs2)=O)c1N(CC1)CCC1C(c1ccccc1)=O)=O
InChI	InChI=1S/C25H22N2O4S/c28-24(11-9-21-7-4-16-32-21)20-8-10-22(23(17-20)27(30)31)26-14-12-19(13-15-26)25(29)18-5-2-1-3-6-18/h1-11,16-17,19H,12-15H2
InChIK	QEYDNFYAOCVJDX-UHFFFAOYSA-N
TotalMolweight	446.526
Molweight	446.526
MonoisotopicMass	446.130028
CLogP	3.9047
CLogS	-6.778
H Acceptors	6
TotalSurfaceArea	338.73
Relative PSA	0.23739
PolarSurfaceArea	111.44
Druglikeness	1.6596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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