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

Formula:C24H26N5O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chloro-3-nitrophenyl)-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-chloro-3-nitrophenyl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C24H26N5O5Cl
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c(cc1)cc([N+]([O-])=O)c1Cl)=O)c1)c1N1CCCCC1)=O
InChI	InChI=1S/C24H26ClN5O5/c25-20-7-4-18(16-22(20)30(34)35)5-9-24(31)28-14-12-26(13-15-28)19-6-8-21(29(32)33)23(17-19)27-10-2-1-3-11-27/h4-9,16-17H,1-3,10-15H2
InChIK	CTKNWISZQVOLSK-UHFFFAOYSA-N
TotalMolweight	499.953
Molweight	499.953
MonoisotopicMass	499.162247
CLogP	2.8635
CLogS	-5.691
H Acceptors	10
TotalSurfaceArea	367.77
Relative PSA	0.22984
PolarSurfaceArea	118.43
Druglikeness	-1.4666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	2
StereoCon

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