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

Formula:C19H18N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C19H18N3O3Cl
Smiles	[O-][N+](c(cc1)ccc1N(CC1)CCN1C(/C=C/c1cccc(Cl)c1)=O)=O
InChI	InChI=1S/C19H18ClN3O3/c20-16-3-1-2-15(14-16)4-9-19(24)22-12-10-21(11-13-22)17-5-7-18(8-6-17)23(25)26/h1-9,14H,10-13H2
InChIK	CJTWZBYLKPKBOB-UHFFFAOYSA-N
TotalMolweight	371.823
Molweight	371.823
MonoisotopicMass	371.103669
CLogP	2.9521
CLogS	-4.239
H Acceptors	6
TotalSurfaceArea	278.5
Relative PSA	0.18154
PolarSurfaceArea	69.37
Druglikeness	0.37566
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
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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