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

Formula:C24H27N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chlorophenyl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C24H27N4O3Cl
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c(cc1)ccc1Cl)=O)c1)c1N1CCCCC1)=O
InChI	InChI=1S/C24H27ClN4O3/c25-20-7-4-19(5-8-20)6-11-24(30)28-16-14-26(15-17-28)21-9-10-22(29(31)32)23(18-21)27-12-2-1-3-13-27/h4-11,18H,1-3,12-17H2
InChIK	GSCGGUUKXMDKQS-UHFFFAOYSA-N
TotalMolweight	454.956
Molweight	454.956
MonoisotopicMass	454.177168
CLogP	3.7851
CLogS	-5.231
H Acceptors	7
TotalSurfaceArea	344.1
Relative PSA	0.15725
PolarSurfaceArea	72.61
Druglikeness	-1.4666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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