(E)-1-(2,4-dichlorophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one

Formula:C20H18N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(2,4-dichlorophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,4-dichlorophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one
MolecularFormula	C20H18N2O3Cl2
Smiles	[O-][N+](c(cc(/C=C/C(c(ccc(Cl)c1)c1Cl)=O)cc1)c1N1CCCCC1)=O
InChI	InChI=1S/C20H18Cl2N2O3/c21-15-6-7-16(17(22)13-15)20(25)9-5-14-4-8-18(19(12-14)24(26)27)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11H2
InChIK	PNZQFBAVGRQVQI-UHFFFAOYSA-N
TotalMolweight	405.28
Molweight	405.28
MonoisotopicMass	404.069447
CLogP	4.4272
CLogS	-6.764
H Acceptors	5
TotalSurfaceArea	297.38
Relative PSA	0.15808
PolarSurfaceArea	66.13
Druglikeness	-3.6466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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