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

Formula:C19H18N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C19H18N3O3Cl
Smiles	[O-][N+](c1cccc(Cl)c1N(CC1)CCN1C(/C=C/c1ccccc1)=O)=O
InChI	InChI=1S/C19H18ClN3O3/c20-16-7-4-8-17(23(25)26)19(16)22-13-11-21(12-14-22)18(24)10-9-15-5-2-1-3-6-15/h1-10H,11-14H2
InChIK	SRHQSCSDNSJPTA-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	0.57692
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	6
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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