(2E,6E)-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one

Formula:C24H22O Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,6E)-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one is not a drug-like molecule.

MolName	(2E,6E)-2,6-bis[(E)-3-phenylprop-2-enylidene]cyclohexan-1-one
MolecularFormula	C24H22O
Smiles	O=C(/C(/CCC1)=C/C=C/c2ccccc2)/C1=C/C=C/c1ccccc1
InChI	InChI=1S/C24H22O/c25-24-22(16-7-14-20-10-3-1-4-11-20)18-9-19-23(24)17-8-15-21-12-5-2-6-13-21/h1-8,10-17H,9,18-19H2
InChIK	CTQRVSIAFMWYTR-UHFFFAOYSA-N
TotalMolweight	326.438
Molweight	326.438
MonoisotopicMass	326.167065
CLogP	6.1512
CLogS	-5.214
H Acceptors	1
TotalSurfaceArea	280.97
Relative PSA	0.046411
PolarSurfaceArea	17.07
Druglikeness	-1.8701
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	1
Electronegative Atoms	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	13
StereoCon

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