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

Formula:C20H18N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-chloro-3-nitrophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-chloro-3-nitrophenyl)-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-en-1-one
MolecularFormula	C20H18N3O5Cl
Smiles	[O-][N+](c(cc(/C=C/C(c(cc1)cc([N+]([O-])=O)c1Cl)=O)cc1)c1N1CCCCC1)=O
InChI	InChI=1S/C20H18ClN3O5/c21-16-7-6-15(13-18(16)23(26)27)20(25)9-5-14-4-8-17(19(12-14)24(28)29)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2
InChIK	QGUUBUYNGHJJSY-UHFFFAOYSA-N
TotalMolweight	415.832
Molweight	415.832
MonoisotopicMass	415.093499
CLogP	2.8996
CLogS	-6.488
H Acceptors	8
TotalSurfaceArea	305.63
Relative PSA	0.25335
PolarSurfaceArea	111.95
Druglikeness	-3.6466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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