(2E,6E)-2,6-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one

Formula:C22H16OF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,6E)-2,6-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one is not a drug-like molecule.

MolName	(2E,6E)-2,6-bis[[4-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one
MolecularFormula	C22H16OF6
Smiles	O=C(/C(/CCC1)=C/c2ccc(C(F)(F)F)cc2)/C1=C/c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C22H16F6O/c23-21(24,25)18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)29)13-15-6-10-19(11-7-15)22(26,27)28/h4-13H,1-3H2
InChIK	HQWXBYVYIALXBO-UHFFFAOYSA-N
TotalMolweight	410.356
Molweight	410.356
MonoisotopicMass	410.110533
CLogP	6.5346
CLogS	-6.146
H Acceptors	1
TotalSurfaceArea	286.89
Relative PSA	0.045453
PolarSurfaceArea	17.07
Druglikeness	-9.314
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	17
StereoCon

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