(E)-3-(3,4-dichlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one

Formula:C19H17N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(3,4-dichlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C19H17N3O3Cl2
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1C(/C=C/c(cc1)cc(Cl)c1Cl)=O)=O
InChI	InChI=1S/C19H17Cl2N3O3/c20-17-7-1-14(13-18(17)21)2-8-19(25)23-11-9-22(10-12-23)15-3-5-16(6-4-15)24(26)27/h1-8,13H,9-12H2
InChIK	NOAQACYFIXPMAS-UHFFFAOYSA-N
TotalMolweight	406.268
Molweight	406.268
MonoisotopicMass	405.064696
CLogP	3.5581
CLogS	-4.975
H Acceptors	6
TotalSurfaceArea	293.92
Relative PSA	0.17202
PolarSurfaceArea	69.37
Druglikeness	0.37566
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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