(E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one

Formula:C19H17N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C19H17N3O3Cl2
Smiles	[O-][N+](c1cccc(Cl)c1N(CC1)CCN1C(/C=C/c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C19H17Cl2N3O3/c20-15-7-4-14(5-8-15)6-9-18(25)22-10-12-23(13-11-22)19-16(21)2-1-3-17(19)24(26)27/h1-9H,10-13H2
InChIK	BOJZEOXLOZEZCS-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	0.59259
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	6
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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