(E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one

Formula:C23H19N4O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
MolecularFormula	C23H19N4O6Cl
Smiles	[O-][N+](c(cc1)cc(Cl)c1N(CC1)CCN1C(/C=C/c1ccc(-c(cccc2)c2[N+]([O-])=O)o1)=O)=O
InChI	InChI=1S/C23H19ClN4O6/c24-19-15-16(27(30)31)5-8-21(19)25-11-13-26(14-12-25)23(29)10-7-17-6-9-22(34-17)18-3-1-2-4-20(18)28(32)33/h1-10,15H,11-14H2
InChIK	REQRYWXVRNCFRH-UHFFFAOYSA-N
TotalMolweight	482.879
Molweight	482.879
MonoisotopicMass	482.099313
CLogP	2.9694
CLogS	-6.159
H Acceptors	10
TotalSurfaceArea	351.62
Relative PSA	0.27043
PolarSurfaceArea	128.33
Druglikeness	1.2169
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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1 - (E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one | 2 - (E)-1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one

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