(3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-benzylpiperidin-4-one

Formula:C28H23NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-benzylpiperidin-4-one is not a drug-like molecule.

MolName	(3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-benzylpiperidin-4-one
MolecularFormula	C28H23NO5
Smiles	O=C(/C(/CN(Cc1ccccc1)C1)=C/c(cc2)cc3c2OCO3)/C1=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C28H23NO5/c30-28-22(10-20-6-8-24-26(12-20)33-17-31-24)15-29(14-19-4-2-1-3-5-19)16-23(28)11-21-7-9-25-27(13-21)34-18-32-25/h1-13H,14-18H2
InChIK	CVXKHOZOHJKRBA-UHFFFAOYSA-N
TotalMolweight	453.493
Molweight	453.493
MonoisotopicMass	453.157624
CLogP	5.4243
CLogS	-5.948
H Acceptors	6
TotalSurfaceArea	338.55
Relative PSA	0.16715
PolarSurfaceArea	57.23
Druglikeness	3.5376
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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