(3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one

Formula:C22H15NO2Cl4 Mutagenic:high Tumorigenic:low Reproductive Effective:low (3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one is not a drug-like molecule.

MolName	(3Z,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
MolecularFormula	C22H15NO2Cl4
Smiles	C=CC(N(C/C(/C1=O)=C\c(cc2)cc(Cl)c2Cl)C/C1=C/c(cc1)cc(Cl)c1Cl)=O
InChI	InChI=1S/C22H15Cl4NO2/c1-2-21(28)27-11-15(7-13-3-5-17(23)19(25)9-13)22(29)16(12-27)8-14-4-6-18(24)20(26)10-14/h2-10H,1,11-12H2
InChIK	FBZOBWNZGBPYHT-UHFFFAOYSA-N
TotalMolweight	467.178
Molweight	467.178
MonoisotopicMass	464.985687
CLogP	6.533
CLogS	-6.638
H Acceptors	3
TotalSurfaceArea	328.48
Relative PSA	0.090203
PolarSurfaceArea	37.38
Druglikeness	-2.4989
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
StereoCon

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