(3Z,5E)-1-benzyl-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one

Formula:C26H21NOCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z,5E)-1-benzyl-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one is not a drug-like molecule.

MolName	(3Z,5E)-1-benzyl-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
MolecularFormula	C26H21NOCl2
Smiles	O=C(/C(/CN(Cc1ccccc1)C1)=C/c(cc2)ccc2Cl)/C1=C\c(cc1)ccc1Cl
InChI	InChI=1S/C26H21Cl2NO/c27-24-10-6-19(7-11-24)14-22-17-29(16-21-4-2-1-3-5-21)18-23(26(22)30)15-20-8-12-25(28)13-9-20/h1-15H,16-18H2
InChIK	OSUWILFLOHLUFU-UHFFFAOYSA-N
TotalMolweight	434.365
Molweight	434.365
MonoisotopicMass	433.100018
CLogP	6.4135
CLogS	-5.998
H Acceptors	2
TotalSurfaceArea	328.87
Relative PSA	0.050445
PolarSurfaceArea	20.31
Druglikeness	3.7132
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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